UCSF

ZINC67240706

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2011 30 No

Popular Name: (1R,3R,3aS,6aS)-3-(2,5-dimethoxyphenyl)-5-(4-fluorophenyl)-4,6-dioxo-2,3,3a,6a-tetrahydro-1H-pyrrolo (1R,3R,3aS,6aS)-3-(2,5-dimethoxy…

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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) 0.49 7.58 -36.04 2 8 0 113 414.389 5 ↓
Ref Reference (pH 7) 0.49 8.57 -46.46 2 8 0 113 414.389 5 ↓
Mid Mid (pH 6-8) 0.49 6.35 -49.25 1 8 -1 108 413.381 5 ↓
Mid Mid (pH 6-8) 0.49 7.31 -58.09 1 8 -1 108 413.381 5 ↓

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

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