UCSF

ZINC67240266

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (1R,3S,3aS,6aS)-5-(3-carboxyphenyl)-3-(2-methoxyphenyl)-4,6-dioxo-2,3,3a,6a-tetrahydro-1H-pyrrolo[3, (1R,3S,3aS,6aS)-5-(3-carboxyphen…

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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) 0.18 7.89 -92.56 2 9 -1 143 409.374 5 ↓
Ref Reference (pH 7) 0.18 8.84 -90.24 2 9 -1 143 409.374 5 ↓
Mid Mid (pH 6-8) 0.18 8.56 -116.62 1 9 -2 139 408.366 5 ↓
Mid Mid (pH 6-8) 0.18 8.06 -113.07 1 9 -2 139 408.366 5 ↓

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Rings

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

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