UCSF

ZINC40380291

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 17 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) 2.19 3.96 -41.98 3 3 1 46 242.314 7
Mid Mid (pH 6-8) 2.19 2.74 -7.5 2 3 0 41 241.306 7

Activity (Go SEA)

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