UCSF

ZINC65314410

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2011 28 Yes

Popular Name: 4-oxo-4-[4-(2-pyridyl)piperazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide 4-oxo-4-[4-(2-pyridyl)piperazin-…

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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) 1.02 10.29 -42.25 2 9 1 100 380.432 4 ↓
Hi High (pH 8-9.5) 1.03 9.53 -63.52 0 9 -1 102 378.416 5 ↓
Mid Mid (pH 6-8) 1.02 9.97 -17.33 1 9 0 99 379.424 4 ↓

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

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