UCSF

ZINC71539324

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 26 Yes

Popular Name: N-[4-cyano-3-(cyanomethyl)-1H-pyrazol-5-yl]-3-(dimethylaminomethyl)imidazo[1,2-a]pyridine-2-carboxam 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) 0.86 7.77 -49.94 3 9 1 127 349.378 5 ↓
Hi High (pH 8-9.5) 0.86 5.16 -47.86 1 9 -1 124 347.362 5 ↓
Hi High (pH 8-9.5) 0.86 5.3 -22.75 2 9 0 126 348.37 5 ↓

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

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