Your session will expire in 60 seconds

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

  • Home
  • N-[1-(4-bromophenyl)ethyl]-5-fluoro salicylamide (BFS) Summary
  • Quantum Mechanics
Molecule Trajectories PCA Clusters Dihedrals QM
QUANTUM MECHANICS
ΔG with respect to bioactive conformation
B3LYP level
ΔGdist (kcal/mol) 0
ΔGstrain (kcal/mol) 0
 
M06 level
ΔGdist (kcal/mol) -1.738
ΔGstrain (kcal/mol) -1.778
Conformations Table
Cluster RMSd RMSdvsMM ΔG B3LYP ΔG M06
1 2.1012
2 3.2102
3 0
4 1.9651
3D View
Actions
Download Conformations
Bioactive Conformational Ensemble Energies
This website uses cookies to ensure you get the best experience on our website. Our Cookie Policy
Understand
2025 © Molecular Modeling and Bioinformatics Group