UCSF

ZINC20025551

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 33 No

Popular Name: 4-benzoyl-5-(3,4-dimethoxyphenyl)-3-hydroxy-1-(2-morpholin-4-ylethyl)-1,5-dihydro-2H-pyrrol-2-one 4-benzoyl-5-(3,4-dimethoxyphenyl…

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Other Names:

MFCD02229748

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) 1.90 5.8 -61.82 0 8 -1 91 451.499 8 ↓
Mid Mid (pH 6-8) 1.90 8.14 -73.61 1 8 0 93 452.507 8 ↓
Lo Low (pH 4.5-6) 1.90 7.31 -55.09 2 8 1 90 453.515 8 ↓

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