UCSF

ZINC69696857

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 23 Yes

Popular Name: (2S)-N-(1-cyanocyclohexyl)-2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propanamide (2S)-N-(1-cyanocyclohexyl)-2-(1-…

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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) 0.67 6.39 -39.72 2 6 1 75 316.429 3 ↓
Hi High (pH 8-9.5) 0.67 5.93 -23.04 1 6 0 74 315.421 3 ↓
Lo Low (pH 4.5-6) 0.67 8 -44.1 2 6 1 75 316.429 3 ↓

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

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