UCSF

ZINC19880430

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 28 No

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

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Other Names:

MFCD02048184

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) 2.42 8.94 -71.23 1 6 0 74 380.444 7 ↓
Hi High (pH 8-9.5) 2.42 6.4 -61.72 0 6 -1 73 379.436 7 ↓
Lo Low (pH 4.5-6) 2.42 8.11 -47.82 2 6 1 71 381.452 7 ↓

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