UCSF

ZINC71528152

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 25 Yes

Popular Name: N-[4-cyano-3-(cyanomethyl)-1H-pyrazol-5-yl]-8-methoxy-2-methyl-imidazo[1,2-a]pyridine-3-carboxamide 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) 1.05 5.73 -18.81 2 9 0 132 335.327 4 ↓
Hi High (pH 8-9.5) 1.05 5.59 -44.7 1 9 -1 130 334.319 4 ↓
Lo Low (pH 4.5-6) 1.05 6.17 -38.67 3 9 1 133 336.335 4 ↓

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

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