UCSF

ZINC65314401

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2011 30 Yes

Popular Name: 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide 4-[4-(2,5-dimethylphenyl)piperaz…

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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) 2.75 12.61 -14.72 1 8 0 86 406.49 4 ↓
Hi High (pH 8-9.5) 2.76 12.18 -60.92 0 8 -1 89 405.482 5 ↓

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Rings

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

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