UCSF

ZINC05408806

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 26 No

Popular Name: 5-(4-chlorophenyl)-4-(3,4-dimethoxybenzoyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one 5-(4-chlorophenyl)-4-(3,4-dimeth…

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Other Names:

MFCD05239246

Download: MOL2 SDF SMILES Flexibase

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) 2.46 4.73 -56.86 1 6 -1 88 372.784 5 ↓
Mid Mid (pH 6-8) 2.90 -1.87 -19.09 2 6 0 84 373.792 4 ↓
Mid Mid (pH 6-8) 1.87 -1.84 -23.92 1 6 0 81 373.792 5 ↓

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