UCSF

ZINC19788392

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 29 No

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

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Other Names:

MFCD02048202

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) 2.84 10.08 -76.36 1 6 0 74 394.471 8 ↓
Hi High (pH 8-9.5) 2.84 7.55 -59.25 0 6 -1 73 393.463 8 ↓
Lo Low (pH 4.5-6) 2.84 9.25 -54.68 2 6 1 71 395.479 8 ↓

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