UCSF

ZINC67443062

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 20 Yes

Popular Name: 4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-piperidyl]butanenitrile 4-[4-([1,2,4]triazolo[4,3-a]pyri…

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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) 1.00 10.31 -62.75 1 5 1 58 270.36 4 ↓
Hi High (pH 8-9.5) 1.00 8.08 -20.14 0 5 0 57 269.352 4 ↓

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

No pre-computed analogs available. Try a structural similarity search.