UCSF

ZINC36754365

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 19 Yes

Popular Name: 2-[2-(4-amino-1-piperidyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one 2-[2-(4-amino-1-piperidyl)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) -0.23 3.58 -51.21 3 6 1 70 262.337 3 ↓
Lo Low (pH 4.5-6) -0.23 5.82 -109.67 4 6 2 71 263.345 3 ↓

Activity (Go SEA)

Rings

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