UCSF

ZINC40143169

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 27 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) 2.97 7.11 -14.15 2 6 0 84 428.286 6
Lo Low (pH 4.5-6) 2.97 7.57 -47.05 3 6 1 85 429.294 6

Activity (Go SEA)

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