UCSF

ZINC65314470

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2011 31 Yes

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

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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) 2.69 11.25 -48.2 2 9 1 97 429.545 6 ↓
Hi High (pH 8-9.5) 2.70 8.56 -64.07 0 9 -1 98 427.529 7 ↓
Mid Mid (pH 6-8) 2.69 9.11 -16.12 1 9 0 95 428.537 6 ↓

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

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