UCSF

ZINC25491217

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 10 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) -0.44 0.1 -10.41 4 4 0 78 138.174 0
Mid Mid (pH 6-8) -0.44 0.47 -28.85 5 4 1 79 139.182 0

Activity (Go SEA)

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