UCSF

ZINC65314379

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2011 26 Yes

Popular Name: N'-(1,3-benzodioxol-5-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide N'-(1,3-benzodioxol-5-yl)-N-([1,…

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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) 1.68 6.81 -19.56 2 9 0 110 353.338 4 ↓
Hi High (pH 8-9.5) 1.68 6.37 -65.88 1 9 -1 113 352.33 5 ↓

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

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