UCSF

ZINC13282259

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2008 15 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) -1.52 0.75 -10.07 2 8 0 108 208.181 2
Mid Mid (pH 6-8) -1.52 1.25 -44.94 3 8 1 109 209.189 2

Activity (Go SEA)

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