UCSF

ZINC19797480

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 30 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) 1.39 5.88 -51.79 1 8 1 92 429.522 3
Mid Mid (pH 6-8) 1.39 5.61 -24.62 0 8 0 91 428.514 3

Activity (Go SEA)

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