UCSF

ZINC01538217

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 23 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.91 10.7 -14.37 0 7 0 79 320.393 8
Mid Mid (pH 6-8) 1.91 11.18 -51.35 1 7 1 80 321.401 8

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )