UCSF

ZINC44725240

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 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) -0.56 2.05 -29.65 2 5 1 50 214.289 8
Hi High (pH 8-9.5) -0.56 1.59 -12 1 5 0 48 213.281 8
Mid Mid (pH 6-8) -0.56 3.02 -42.95 2 5 1 53 214.289 8
Mid Mid (pH 6-8) -0.56 3.47 -103.1 3 5 2 54 215.297 8

Activity (Go SEA)

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