UCSF

ZINC67240678

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2011 31 No

Popular Name: (1R,3R,3aS,6aS)-4,6-dioxo-5-phenyl-3-(2,3,4-trimethoxyphenyl)-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c] (1R,3R,3aS,6aS)-4,6-dioxo-5-phen…

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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) 0.12 7.96 -43.65 2 9 0 122 426.425 6 ↓
Ref Reference (pH 7) 0.12 8.94 -56.44 2 9 0 122 426.425 6 ↓
Mid Mid (pH 6-8) 0.12 6.72 -52.16 1 9 -1 117 425.417 6 ↓
Mid Mid (pH 6-8) 0.12 7.67 -63.72 1 9 -1 117 425.417 6 ↓

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Rings

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

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