UCSF

ZINC04899849

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 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) -0.96 2.12 -12.92 2 6 0 78 234.259 2
Mid Mid (pH 6-8) -0.96 2.63 -43.71 3 6 1 79 235.267 2

Activity (Go SEA)

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