UCSF

ZINC05286224

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2006 11 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) 1.98 5.58 -4.21 0 1 0 12 163.245 1
Mid Mid (pH 6-8) 1.98 4.79 -6.39 0 1 0 12 163.245 1

Activity (Go SEA)

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