UCSF

ZINC37039224

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 Yes

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) 0.19 2.35 -51.91 3 6 1 71 307.484 7
Mid Mid (pH 6-8) 0.19 3.82 -120.32 4 6 2 73 308.492 7

Activity (Go SEA)

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