UCSF

ZINC71529746

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 24 Yes

Popular Name: N-[4-cyano-3-(cyanomethyl)-1H-pyrazol-5-yl]-2-(7-methylimidazo[1,2-a]pyridin-2-yl)acetamide N-[4-cyano-3-(cyanomethyl)-1H-py…

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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) 1.31 7.55 -21.3 2 8 0 123 319.328 4 ↓
Hi High (pH 8-9.5) 1.31 7.4 -52.32 1 8 -1 121 318.32 4 ↓
Mid Mid (pH 6-8) 1.31 7.84 -42.71 3 8 1 124 320.336 4 ↓

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

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