UCSF

ZINC65552625

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2011 22 Yes

Popular Name: (3R,8aS)-3-(2,3,4-trimethoxyphenyl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one (3R,8aS)-3-(2,3,4-trimethoxyphen…

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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) 1.60 3.23 -8.9 1 6 0 60 306.362 4 ↓
Mid Mid (pH 6-8) 1.79 2.67 -40.71 1 6 0 68 306.362 4 ↓
Mid Mid (pH 6-8) 1.60 5.03 -38.18 2 6 1 61 307.37 4 ↓

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

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