UCSF

ZINC20042169

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 12 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) 0.65 3.13 -37.63 2 4 1 52 176.236 7
Mid Mid (pH 6-8) 0.65 1.85 -6.87 1 4 0 48 175.228 7

Activity (Go SEA)

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