2-(3'-methoxyphenyl) benzimidazole-4-carboxamide (BZC) Summary

CLUSTERS

Clusters summary

Clustering method	gromos
Clustering metric	RSMd_i
Initial clustering cutoff (nm)	0.05
Final clustering cutoff (nm)	0.05
Number of clusters	15
Number of clusters representing 95%	4

Cluster Population

Clusters Convergence

ΔG WITH RESPECT TO BIOACTIVE CONFORMATION

ΔG_dist (kcal/mol)	0.7844
ΔG_strain (kcal/mol)	0.0402

Conformations Table

ClNum	ClPop	ΔG _Cl-Cl	RMSd Exp
1	2846	0	1.0114
2	2659	0.0402	0.6043
3	2308	0.1240	1.5217
4	1767	0.2822	1.9676

3D View