[4-(6-chloro-naphthalene-2-sulfonyl)-piperazin-1-yl]- (3,4,5,6-tetrahydro-2h-[1,4']bipyridinyl-4-yl)- methanone (ZEN) Summary
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- [4-(6-chloro-naphthalene-2-sulfonyl)-piperazin-1-yl]- (3,4,5,6-tetrahydro-2h-[1,4']bipyridinyl-4-yl)- methanone (ZEN) Summary
- Dihedrals
Dihedrals Table
| Dih. | Atom names | Experimental | Type |
|---|---|---|---|
| 1 | N.1-C.2-C.3-C.65-2-1-0 N.6-C.3-C.2-C.1 | -3.349 | Rigid Ring |
| 2 | N.1-C.5-C.4-C.65-3-4-0 N.6-C.4-C.5-C.1 | 2.962 | Rigid Ring |
| 3 | C.2-N.1-C.5-C.43-4-0-1 C.4-N.5-C.1-C.2 | -7.208 | Rigid Ring |
| 4 | C.2-C.3-C.6-C.43-5-2-1 C.4-C.6-C.3-C.2 | -0.828 | Rigid Ring |
| 5 | C.2-C.3-C.6-N.76-5-2-1 C.7-C.6-C.3-N.2 | 179.788 | Rigid |
| 6 | C.3-C.6-C.4-C.54-3-5-2 C.5-C.4-C.6-C.3 | 1.008 | Rigid Ring |
| 7 | C.3-C.6-N.7-C.87-6-5-2 C.8-C.7-N.6-C.3 | -5.352 | Flexible |
| 8 | C.3-C.6-N.7-C.1110-6-5-2 C.11-C.7-N.6-C.3 | 170.92 | Flexible |
| 9 | C.4-C.6-N.7-C.87-6-5-3 C.8-C.7-N.6-C.4 | 175.311 | Flexible |
| 10 | C.4-C.6-N.7-C.1110-6-5-3 C.11-C.7-N.6-C.4 | -8.416 | Flexible |
| 11 | C.5-N.1-C.2-C.32-1-0-4 C.3-N.2-C.1-C.5 | 7.405 | Rigid Ring |
| 12 | C.5-C.4-C.6-N.76-5-3-4 C.7-C.6-C.4-N.5 | -179.608 | Rigid |
| 13 | C.6-N.7-C.8-C.98-7-6-5 C.9-N.8-C.7-C.6 | 124.398 | Flexible |
| 14 | C.6-N.7-C.11-C.109-10-6-5 C.10-N.11-C.7-C.6 | -121.375 | Flexible |
| 15 | N.7-C.8-C.9-C.1211-8-7-6 N.12-C.9-C.8-C.7 | 51.946 | Flexible Ring |
| 16 | N.7-C.11-C.10-C.1211-9-10-6 N.12-C.10-C.11-C.7 | -58.2 | Flexible Ring |
| 17 | C.8-N.7-C.11-C.109-10-6-7 C.10-N.11-C.7-C.8 | 55.188 | Flexible Ring |
| 18 | C.8-C.9-C.12-C.109-11-8-7 C.10-C.12-C.9-C.8 | -54.871 | Flexible Ring |
| 19 | C.8-C.9-C.12-C.1312-11-8-7 C.13-C.12-C.9-C.8 | -175.845 | Flexible |
| 20 | C.9-C.8-N.7-C.1110-6-7-8 C.11-C.7-N.8-C.9 | -52.141 | Flexible Ring |
| 21 | C.9-C.12-C.10-C.1110-9-11-8 C.11-C.10-C.12-C.9 | 57.899 | Flexible Ring |
| 22 | C.9-C.12-C.13-O.1413-12-11-8 C.14-C.13-C.12-O.9 | 17.647 | Flexible |
| 23 | C.9-C.12-C.13-N.1514-12-11-8 C.15-C.13-C.12-N.9 | -164.695 | Flexible |
| 24 | C.10-C.12-C.13-O.1413-12-11-9 C.14-C.13-C.12-O.10 | -102.062 | Flexible |
| 25 | C.10-C.12-C.13-N.1514-12-11-9 C.15-C.13-C.12-N.10 | 75.596 | Flexible |
| 26 | C.11-C.10-C.12-C.1312-11-9-10 C.13-C.12-C.10-C.11 | 179.284 | Flexible |
| 27 | C.12-C.13-N.15-C.1615-14-12-11 C.16-C.15-N.13-C.12 | 1.512 | Flexible |
| 28 | C.12-C.13-N.15-C.1918-14-12-11 C.19-C.15-N.13-C.12 | -177.249 | Flexible |
| 29 | C.13-N.15-C.16-C.1716-15-14-12 C.17-N.16-C.15-C.13 | -128.672 | Flexible |
| 30 | C.13-N.15-C.19-C.1817-18-14-12 C.18-N.19-C.15-C.13 | 126.369 | Flexible |
| 31 | O.14-C.13-N.15-C.1615-14-12-13 O.16-C.15-N.13-C.14 | 179.138 | Flexible |
| 32 | O.14-C.13-N.15-C.1918-14-12-13 O.19-C.15-N.13-C.14 | 0.376 | Flexible |
| 33 | N.15-C.16-C.17-N.2019-16-15-14 N.20-C.17-C.16-N.15 | -50.783 | Flexible Ring |
| 34 | N.15-C.19-C.18-N.2019-17-18-14 N.20-C.18-C.19-N.15 | 55.461 | Flexible Ring |
| 35 | C.16-N.15-C.19-C.1817-18-14-15 C.18-N.19-C.15-C.16 | -52.51 | Flexible Ring |
| 36 | C.16-C.17-N.20-C.1817-19-16-15 C.18-C.20-N.17-C.16 | 58.648 | Flexible Ring |
| 37 | C.16-C.17-N.20-S.2120-19-16-15 C.21-C.20-N.17-S.16 | -166.211 | Flexible |
| 38 | C.17-C.16-N.15-C.1918-14-15-16 C.19-C.15-N.16-C.17 | 50.113 | Flexible Ring |
| 39 | C.17-N.20-C.18-C.1918-17-19-16 C.19-N.18-C.20-C.17 | -61.23 | Flexible Ring |
| 40 | C.17-N.20-S.21-O.2221-20-19-16 C.22-N.21-S.20-O.17 | -172.062 | Flexible |
| 41 | C.17-N.20-S.21-O.2322-20-19-16 C.23-N.21-S.20-O.17 | 57.445 | Flexible |
| 42 | C.17-N.20-S.21-C.2423-20-19-16 C.24-N.21-S.20-C.17 | -56.295 | Flexible |
| 43 | C.18-N.20-S.21-O.2221-20-19-17 C.22-N.21-S.20-O.18 | -38.211 | Flexible |
| 44 | C.18-N.20-S.21-O.2322-20-19-17 C.23-N.21-S.20-O.18 | -168.704 | Flexible |
| 45 | C.18-N.20-S.21-C.2423-20-19-17 C.24-N.21-S.20-C.18 | 77.555 | Flexible |
| 46 | C.19-C.18-N.20-S.2120-19-17-18 C.21-C.20-N.18-S.19 | 163.638 | Flexible |
| 47 | N.20-S.21-C.24-C.2524-23-20-19 N.25-S.24-C.21-C.20 | -86.286 | Flexible |
| 48 | N.20-S.21-C.24-C.2625-23-20-19 N.26-S.24-C.21-C.20 | 97.735 | Flexible |
| 49 | S.21-C.24-C.25-C.2827-24-23-20 S.28-C.25-C.24-C.21 | -176.874 | Rigid |
| 50 | S.21-C.24-C.26-C.2726-25-23-20 S.27-C.26-C.24-C.21 | 177.024 | Rigid |
| 51 | O.22-S.21-C.24-C.2524-23-20-21 O.25-S.24-C.21-C.22 | 29.057 | Flexible |
| 52 | O.22-S.21-C.24-C.2625-23-20-21 O.26-S.24-C.21-C.22 | -146.922 | Flexible |
| 53 | O.23-S.21-C.24-C.2524-23-20-22 O.25-S.24-C.21-C.23 | 161.597 | Flexible |
| 54 | O.23-S.21-C.24-C.2625-23-20-22 O.26-S.24-C.21-C.23 | -14.383 | Flexible |
| 55 | C.24-C.25-C.28-C.2928-27-24-23 C.29-C.28-C.25-C.24 | 0.327 | Rigid Ring |
| 56 | C.24-C.25-C.28-C.3231-27-24-23 C.32-C.28-C.25-C.24 | -179.725 | Rigid Ring |
| 57 | C.24-C.26-C.27-C.2928-26-25-23 C.29-C.27-C.26-C.24 | -0.631 | Rigid Ring |
| 58 | C.25-C.24-C.26-C.2726-25-23-24 C.27-C.26-C.24-C.25 | 0.993 | Rigid Ring |
| 59 | C.25-C.28-C.29-C.2726-28-27-24 C.27-C.29-C.28-C.25 | 0.05 | Rigid Ring |
| 60 | C.25-C.28-C.29-C.3029-28-27-24 C.30-C.29-C.28-C.25 | -179.91 | Rigid Ring |
| 61 | C.25-C.28-C.32-C.3130-31-27-24 C.31-C.32-C.28-C.25 | 179.818 | Rigid Ring |
| 62 | C.26-C.24-C.25-C.2827-24-23-25 C.28-C.25-C.24-C.26 | -0.846 | Rigid Ring |
| 63 | C.26-C.27-C.29-C.2827-28-26-25 C.28-C.29-C.27-C.26 | 0.102 | Rigid Ring |
| 64 | C.26-C.27-C.29-C.3029-28-26-25 C.30-C.29-C.27-C.26 | -179.939 | Rigid Ring |
| 65 | C.27-C.29-C.28-C.3231-27-28-26 C.32-C.28-C.29-C.27 | -179.9 | Rigid Ring |
| 66 | C.27-C.29-C.30-C.3332-29-28-26 C.33-C.30-C.29-C.27 | -179.844 | Rigid Ring |
| 67 | C.28-C.29-C.30-C.3332-29-28-27 C.33-C.30-C.29-C.28 | 0.116 | Rigid Ring |
| 68 | C.28-C.32-C.31-C.3332-30-31-27 C.33-C.31-C.32-C.28 | 0.072 | Rigid Ring |
| 69 | C.29-C.28-C.32-C.3130-31-27-28 C.31-C.32-C.28-C.29 | -0.234 | Rigid Ring |
| 70 | C.29-C.30-C.33-C.3130-32-29-28 C.31-C.33-C.30-C.29 | -0.28 | Rigid Ring |
| 71 | C.29-C.30-C.33-Cl.3433-32-29-28 C.34-C.33-C.30-Cl.29 | 179.393 | Rigid |
| 72 | C.30-C.29-C.28-C.3231-27-28-29 C.32-C.28-C.29-C.30 | 0.14 | Rigid Ring |
| 73 | C.30-C.33-C.31-C.3231-30-32-29 C.32-C.31-C.33-C.30 | 0.186 | Rigid Ring |
| 74 | C.32-C.31-C.33-Cl.3433-32-30-31 C.34-C.33-C.31-Cl.32 | -179.484 | Rigid |
Dihedrals Histogram