UCSF

ZINC40468622

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 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) 0.27 3.88 -16.34 0 6 0 59 279.34 3
Mid Mid (pH 6-8) 0.27 6.09 -57.39 1 6 1 60 280.348 3

Activity (Go SEA)

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