UCSF

ZINC39982061

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 21 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) 1.87 4.94 -38.77 3 5 1 55 292.403 7
Lo Low (pH 4.5-6) 1.87 6.3 -120.53 4 5 2 59 293.411 7

Activity (Go SEA)

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