UCSF

ZINC18063120

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2008 28 No

Popular Name: 4-benzoyl-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-methoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one 4-benzoyl-1-[2-(dimethylamino)et…

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Other Names:

MFCD02048183

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 8.73 -72.64 1 6 0 74 380.444 7 ↓
Hi High (pH 8-9.5) 2.46 6.19 -59.79 0 6 -1 73 379.436 7 ↓
Mid Mid (pH 6-8) 1.88 9.44 -48.07 1 6 1 68 381.452 7 ↓

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