UCSF

ZINC65314429

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2011 29 Yes

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

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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) 2.32 11.95 -14.67 1 8 0 86 392.463 4 ↓
Hi High (pH 8-9.5) 2.33 11.51 -60.93 0 8 -1 89 391.455 5 ↓

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Rings

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

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