Your session will expire in 60 seconds

5-acetamido-1,3,4-thiadiazole-2-sulfonamide (AZM) Summary

  • Home
  • 5-acetamido-1,3,4-thiadiazole-2-sulfonamide (AZM) Summary
  • Quantum Mechanics
Molecule Trajectories PCA Clusters Dihedrals QM
QUANTUM MECHANICS
ΔG with respect to bioactive conformation
B3LYP level
ΔGdist (kcal/mol) -0.932
ΔGstrain (kcal/mol) -1.533
 
M06 level
ΔGdist (kcal/mol) -1.446
ΔGstrain (kcal/mol) -2.010
Conformations Table
Cluster RMSd RMSdvsMM ΔG B3LYP ΔG M06
1 0.4527 0.2454 0.0193 0.1258
2 1.0101 0.1539 0 0.1433
3 0.9918 0.4623 0.1391 0
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