UCSF

ZINC13099551

Substance Information

In ZINC since Heavy atoms Benign functionality
May 28th, 2008 17 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) 0.25 7.31 -50.52 2 7 1 91 241.271 5
Mid Mid (pH 6-8) 0.25 7.79 -94.13 3 7 2 92 242.279 5

Activity (Go SEA)

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