N-[1-(4-bromophenyl)ethyl]-5-fluoro salicylamide (BFS) Summary

CLUSTERS

Clusters summary

Clustering method	gromos
Clustering metric	RSMd_i
Initial clustering cutoff (nm)	0.05
Final clustering cutoff (nm)
Number of clusters	0
Number of clusters representing 95%	4

Cluster Population

Clusters Convergence

ΔG WITH RESPECT TO BIOACTIVE CONFORMATION

ΔG_dist (kcal/mol)	0
ΔG_strain (kcal/mol)	0

Conformations Table

ClNum	ClPop	ΔG _Cl-Cl
1	5732	0
2	2862	0.4112
3	550	1.3880
4	311	1.7256

3D View