UCSF

ZINC33832781

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 14 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) 1.73 5.72 -38.37 2 2 1 16 189.282 0
Hi High (pH 8-9.5) 1.73 3.42 -2.95 1 2 0 15 188.274 0

Activity (Go SEA)

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