UCSF

ZINC65164101

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2011 21 Yes

Popular Name: [(3aR)-3a,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(3,4-dimethoxyphenyl)methanone [(3aR)-3a,4,6,7-tetrahydroimidaz…

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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) 0.46 5.73 -46.91 2 6 1 69 288.327 3 ↓
Mid Mid (pH 6-8) 0.46 5.26 -14.08 1 6 0 67 287.319 3 ↓
Mid Mid (pH 6-8) 0.46 5.72 -46.86 2 6 1 69 288.327 3 ↓

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

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