UCSF

ZINC65164544

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2011 26 Yes

Popular Name: (3aR,4R)-N-(2,5-dimethylphenyl)-4-(4-pyridyl)-3a,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamid (3aR,4R)-N-(2,5-dimethylphenyl)-…

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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) 2.91 9.12 -18.69 2 6 0 74 347.422 2 ↓
Mid Mid (pH 6-8) 2.91 9.58 -46.82 3 6 1 75 348.43 2 ↓
Lo Low (pH 4.5-6) 2.91 10.04 -96.95 4 6 2 76 349.438 2 ↓

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

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