UCSF

ZINC06690228

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2006 22 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) 2.79 10.33 -13.27 0 4 0 38 338.238 6
Mid Mid (pH 6-8) 2.79 10.65 -45.88 1 4 1 39 339.246 6

Activity (Go SEA)

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