UCSF

ZINC34520577

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 15 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) 1.32 1.63 -7.23 2 3 0 44 209.289 7
Lo Low (pH 4.5-6) 1.32 1.69 -25.96 3 3 0 45 210.297 7

Activity (Go SEA)

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