UCSF

ZINC40810554

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 11 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) 0.80 4.1 -35.8 3 3 1 45 154.237 4
Lo Low (pH 4.5-6) 0.80 4.56 -92.95 4 3 2 47 155.245 4

Activity (Go SEA)

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