UCSF

ZINC38472428

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2010 36 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) 3.96 7.28 -72.87 8 8 2 139 478.556 4
Hi High (pH 8-9.5) 3.96 6.89 -48.8 7 8 1 137 477.548 4

Activity (Go SEA)

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