UCSF

ZINC19437709

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 19 Yes

Popular Name: 2-(2-oxo-2-piperazin-1-yl-ethyl)-[1,2,4]triazolo[4,5-a]pyridin-3-one 2-(2-oxo-2-piperazin-1-yl-ethyl)…

Find On: PubMed — Wikipedia — Google

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) -0.87 3.32 -20.32 1 7 0 72 261.285 2 ↓
Mid Mid (pH 6-8) -0.87 4.73 -61.83 2 7 1 76 262.293 2 ↓

Activity (Go SEA)

Rings

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