UCSF

ZINC69489309

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 23 No

Popular Name: N,N-bis(cyanomethyl)-3-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propanamide N,N-bis(cyanomethyl)-3-(1-cyclop…

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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) -0.13 8 -46.34 1 7 1 90 313.385 6 ↓
Hi High (pH 8-9.5) -0.13 7.54 -20.47 0 7 0 89 312.377 6 ↓
Lo Low (pH 4.5-6) -0.13 9.78 -55.83 1 7 1 90 313.385 6 ↓

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

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