UCSF

ZINC20126930

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 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) 3.84 6.81 -42.53 2 3 1 33 338.269 5
Mid Mid (pH 6-8) 3.84 9.33 -121.57 3 3 2 34 339.277 5
Mid Mid (pH 6-8) 3.84 8.05 -38.19 2 3 1 30 338.269 5

Activity (Go SEA)

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