UCSF

ZINC65314399

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Substance Information

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

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

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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) 2.13 11.24 -46.74 2 8 1 87 385.492 4 ↓
Hi High (pH 8-9.5) 2.14 8.66 -60.54 0 8 -1 89 383.476 5 ↓
Mid Mid (pH 6-8) 2.13 9.1 -14.07 1 8 0 86 384.484 4 ↓

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

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