UCSF

ZINC53656199

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 19 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) 3.32 7.96 -37.69 2 2 1 20 279.835 5
Mid Mid (pH 6-8) 3.32 10.19 -104.46 3 2 2 21 280.843 5

Activity (Go SEA)

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