UCSF

ZINC34623832

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 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) 2.85 6.88 -47.35 3 1 1 28 242.433 6
Hi High (pH 8-9.5) 2.85 6.48 -3.05 2 1 0 26 241.425 6

Activity (Go SEA)

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