UCSF

ZINC28843224

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2009 23 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) 0.97 0.96 -14.98 3 6 0 85 337.445 5
Mid Mid (pH 6-8) 0.97 3.3 -52.52 4 6 1 86 338.453 5

Activity (Go SEA)

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