3,4-dihydro-4-oxo-3-((5-trifluoromethyl-2-benzothiazolyl)methyl)-1-phthalazine acetic acid (ZST) Summary
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- 3,4-dihydro-4-oxo-3-((5-trifluoromethyl-2-benzothiazolyl)methyl)-1-phthalazine acetic acid (ZST) Summary
- Dihedrals
Dihedrals Table
| Dih. | Atom names | Experimental | Type |
|---|---|---|---|
| 1 | C1.1-C2.3-C3.4-C4.54-3-2-0 C1.5-C2.4-C3.3-C4.1 | -0.578 | Rigid Ring |
| 2 | C1.1-C2.3-C3.4-C8.98-3-2-0 C1.9-C2.4-C3.3-C8.1 | 178.333 | Rigid Ring |
| 3 | C1.1-C2.3-C5.6-C6.76-5-2-0 C1.7-C2.6-C5.3-C6.1 | -177.402 | Rigid Ring |
| 4 | C1.1-N1.10-N2.11-C4.54-10-9-0 C1.5-N1.11-N2.10-C4.1 | -1.727 | Rigid Ring |
| 5 | C1.1-N1.10-C9.12-C10.1312-11-9-0 C1.13-N1.12-C9.10-C10.1 | 81.983 | Flexible |
| 6 | O1.2-C1.1-C2.3-C3.43-2-0-1 O1.4-C1.3-C2.1-C3.2 | 174.575 | Rigid |
| 7 | O1.2-C1.1-C2.3-C5.65-2-0-1 O1.6-C1.3-C2.1-C5.2 | -6.551 | Rigid |
| 8 | O1.2-C1.1-N1.10-N2.1110-9-0-1 O1.11-C1.10-N1.1-N2.2 | -173.369 | Rigid |
| 9 | O1.2-C1.1-N1.10-C9.1211-9-0-1 O1.12-C1.10-N1.1-C9.2 | 17.065 | Rigid |
| 10 | C2.3-C1.1-N1.10-N2.1110-9-0-2 C2.11-C1.10-N1.1-N2.3 | 3.716 | Rigid Ring |
| 11 | C2.3-C1.1-N1.10-C9.1211-9-0-2 C2.12-C1.10-N1.1-C9.3 | -165.85 | Rigid |
| 12 | C2.3-C3.4-C4.5-N2.1110-4-3-2 C2.11-C3.5-C4.4-N2.3 | 2.819 | Rigid Ring |
| 13 | C2.3-C3.4-C4.5-C17.2221-4-3-2 C2.22-C3.5-C4.4-C17.3 | -176.063 | Rigid |
| 14 | C2.3-C3.4-C8.9-C7.87-8-3-2 C2.8-C3.9-C8.4-C7.3 | -0.308 | Rigid Ring |
| 15 | C2.3-C5.6-C6.7-C7.87-6-5-2 C2.8-C5.7-C6.6-C7.3 | -1.551 | Rigid Ring |
| 16 | C3.4-C2.3-C5.6-C6.76-5-2-3 C3.7-C2.6-C5.3-C6.4 | 1.471 | Rigid Ring |
| 17 | C3.4-C4.5-N2.11-N1.109-10-4-3 C3.10-C4.11-N2.5-N1.4 | -1.762 | Rigid Ring |
| 18 | C3.4-C4.5-C17.22-C18.2322-21-4-3 C3.23-C4.22-C17.5-C18.4 | -85.89 | Flexible |
| 19 | C3.4-C8.9-C7.8-C6.76-7-8-3 C3.7-C8.8-C7.9-C6.4 | 0.24 | Rigid Ring |
| 20 | C4.5-C3.4-C2.3-C5.65-2-3-4 C4.6-C3.3-C2.4-C5.5 | -179.457 | Rigid Ring |
| 21 | C4.5-C3.4-C8.9-C7.87-8-3-4 C4.8-C3.9-C8.4-C7.5 | 178.544 | Rigid Ring |
| 22 | C4.5-N2.11-N1.10-C9.1211-9-10-4 C4.12-N2.10-N1.11-C9.5 | 168.366 | Rigid |
| 23 | C4.5-C17.22-C18.23-O2.2423-22-21-4 C4.24-C17.23-C18.22-O2.5 | -6.638 | Flexible |
| 24 | C4.5-C17.22-C18.23-O3.2524-22-21-4 C4.25-C17.23-C18.22-O3.5 | 173.82 | Flexible |
| 25 | C5.6-C2.3-C3.4-C8.98-3-2-5 C5.9-C2.4-C3.3-C8.6 | -0.546 | Rigid Ring |
| 26 | C5.6-C6.7-C7.8-C8.98-7-6-5 C5.9-C6.8-C7.7-C8.6 | 0.697 | Rigid Ring |
| 27 | C8.9-C3.4-C4.5-N2.1110-4-3-8 C8.11-C3.5-C4.4-N2.9 | -176.052 | Rigid Ring |
| 28 | C8.9-C3.4-C4.5-C17.2221-4-3-8 C8.22-C3.5-C4.4-C17.9 | 5.067 | Rigid |
| 29 | N1.10-C1.1-C2.3-C3.43-2-0-9 N1.4-C1.3-C2.1-C3.10 | -2.348 | Rigid Ring |
| 30 | N1.10-C1.1-C2.3-C5.65-2-0-9 N1.6-C1.3-C2.1-C5.10 | 176.526 | Rigid Ring |
| 31 | N1.10-N2.11-C4.5-C17.2221-4-10-9 N1.22-N2.5-C4.11-C17.10 | 177.178 | Rigid |
| 32 | N1.10-C9.12-C10.13-N3.2019-12-11-9 N1.20-C9.13-C10.12-N3.10 | 171.076 | Flexible |
| 33 | N1.10-C9.12-C10.13-S1.2120-12-11-9 N1.21-C9.13-C10.12-S1.10 | -8.756 | Flexible |
| 34 | N2.11-C4.5-C17.22-C18.2322-21-4-10 N2.23-C4.22-C17.5-C18.11 | 95.142 | Flexible |
| 35 | N2.11-N1.10-C9.12-C10.1312-11-9-10 N2.13-N1.12-C9.10-C10.11 | -88.92 | Flexible |
| 36 | C9.12-C10.13-N3.20-C12.1514-19-12-11 C9.15-C10.20-N3.13-C12.12 | 179.52 | Rigid |
| 37 | C9.12-C10.13-S1.21-C11.1413-20-12-11 C9.14-C10.21-S1.13-C11.12 | -179.106 | Rigid |
| 38 | C10.13-N3.20-C12.15-C11.1413-14-19-12 C10.14-N3.15-C12.20-C11.13 | -0.247 | Rigid Ring |
| 39 | C10.13-N3.20-C12.15-C16.1918-14-19-12 C10.19-N3.15-C12.20-C16.13 | 179.321 | Rigid Ring |
| 40 | C10.13-S1.21-C11.14-C12.1514-13-20-12 C10.15-S1.14-C11.21-C12.13 | -1.101 | Rigid Ring |
| 41 | C10.13-S1.21-C11.14-C13.1615-13-20-12 C10.16-S1.14-C11.21-C13.13 | -179.946 | Rigid Ring |
| 42 | C11.14-C12.15-C16.19-C15.1817-18-14-13 C11.18-C12.19-C16.15-C15.14 | 0.39 | Rigid Ring |
| 43 | C11.14-C13.16-C14.17-C15.1817-16-15-13 C11.18-C13.17-C14.16-C15.14 | -0.333 | Rigid Ring |
| 44 | C11.14-S1.21-C10.13-N3.2019-12-20-13 C11.20-S1.13-C10.21-N3.14 | 1.047 | Rigid Ring |
| 45 | C12.15-C11.14-C13.16-C14.1716-15-13-14 C12.17-C11.16-C13.14-C14.15 | -0.404 | Rigid Ring |
| 46 | C12.15-C16.19-C15.18-C14.1716-17-18-14 C12.17-C16.18-C15.19-C14.15 | -1.137 | Rigid Ring |
| 47 | C12.15-C16.19-C15.18-C19.2625-17-18-14 C12.26-C16.18-C15.19-C19.15 | 174.587 | Rigid |
| 48 | C12.15-N3.20-C10.13-S1.2120-12-19-14 C12.21-N3.13-C10.20-S1.15 | -0.639 | Rigid Ring |
| 49 | C13.16-C11.14-C12.15-C16.1918-14-13-15 C13.19-C11.15-C12.14-C16.16 | 0.377 | Rigid Ring |
| 50 | C13.16-C11.14-C12.15-N3.2019-14-13-15 C13.20-C11.15-C12.14-N3.16 | 179.972 | Rigid Ring |
| 51 | C13.16-C14.17-C15.18-C16.1918-17-16-15 C13.19-C14.18-C15.17-C16.16 | 1.131 | Rigid Ring |
| 52 | C13.16-C14.17-C15.18-C19.2625-17-16-15 C13.26-C14.18-C15.17-C19.16 | -174.725 | Rigid |
| 53 | C14.17-C13.16-C11.14-S1.2120-13-15-16 C14.21-C13.14-C11.16-S1.17 | 178.33 | Rigid Ring |
| 54 | C14.17-C15.18-C19.26-F1.2726-25-17-16 C14.27-C15.26-C19.18-F1.17 | 61.731 | Flexible |
| 55 | C14.17-C15.18-C19.26-F2.2827-25-17-16 C14.28-C15.26-C19.18-F2.17 | -59.16 | Flexible |
| 56 | C14.17-C15.18-C19.26-F3.2928-25-17-16 C14.29-C15.26-C19.18-F3.17 | -178.304 | Flexible |
| 57 | C15.18-C16.19-C12.15-N3.2019-14-18-17 C15.20-C16.15-C12.19-N3.18 | -179.155 | Rigid Ring |
| 58 | C16.19-C12.15-C11.14-S1.2120-13-14-18 C16.21-C12.14-C11.15-S1.19 | -178.59 | Rigid Ring |
| 59 | C16.19-C15.18-C19.26-F1.2726-25-17-18 C16.27-C15.26-C19.18-F1.19 | -114.152 | Flexible |
| 60 | C16.19-C15.18-C19.26-F2.2827-25-17-18 C16.28-C15.26-C19.18-F2.19 | 124.957 | Flexible |
| 61 | C16.19-C15.18-C19.26-F3.2928-25-17-18 C16.29-C15.26-C19.18-F3.19 | 5.813 | Flexible |
| 62 | N3.20-C12.15-C11.14-S1.2120-13-14-19 N3.21-C12.14-C11.15-S1.20 | 1.005 | Rigid Ring |
Dihedrals Histogram