UCSF

ZINC65164136

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2011 19 Yes

Popular Name: [(3aR)-3a,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-methoxyphenyl)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) 0.87 5.81 -44.12 2 5 1 59 258.301 2 ↓
Mid Mid (pH 6-8) 0.87 5.34 -11.74 1 5 0 58 257.293 2 ↓
Mid Mid (pH 6-8) 0.87 5.79 -42.83 2 5 1 59 258.301 2 ↓

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Rings

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

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