UCSF

ZINC65314407

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2011 25 Yes

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

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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) 1.10 9.65 -47.44 2 8 1 87 345.427 5 ↓
Hi High (pH 8-9.5) 1.11 7.01 -60.66 0 8 -1 89 343.411 6 ↓
Mid Mid (pH 6-8) 1.10 7.45 -14.31 1 8 0 86 344.419 5 ↓

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

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