UCSF

ZINC20072089

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 18 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) 1.89 2.68 -7.39 1 4 0 34 248.326 2
Mid Mid (pH 6-8) 1.89 5.06 -37.72 2 4 1 35 249.334 2

Activity (Go SEA)

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