UCSF

ZINC06870251

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2006 20 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) 1.75 6.57 -47.55 2 4 1 48 273.356 7
Lo Low (pH 4.5-6) 1.75 6.84 -120.47 3 4 2 49 274.364 7

Activity (Go SEA)

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