UCSF

ZINC49546045

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 28 Yes

Popular Name: 4-[(7R)-3-(2,4-dimethoxyphenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]benzonitrile 4-[(7R)-3-(2,4-dimethoxyphenyl)-…

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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) 2.70 6.85 -13.92 1 7 0 93 374.4 4 ↓
Ref Reference (pH 7) 2.51 9.49 -13.65 1 7 0 89 374.4 4 ↓
Lo Low (pH 4.5-6) 2.70 7.31 -43.17 2 7 1 94 375.408 4 ↓
Lo Low (pH 4.5-6) 2.51 9.95 -49.67 2 7 1 90 375.408 4 ↓

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Rings

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

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