UCSF

ZINC19938538

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 36 No

Popular Name: 4-(3,4-dimethoxybenzoyl)-3-hydroxy-5-(4-methoxyphenyl)-1-[3-(4-morpholinyl)propyl]-1,5-dihydro-2H-pyrrol-2-one 4-(3,4-dimethoxybenzoyl)-3-hydro…

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Other Names:

MFCD03501546

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) 2.23 6.44 -60.27 0 9 -1 101 495.552 10 ↓
Mid Mid (pH 6-8) 2.23 8.78 -82.13 1 9 0 102 496.56 10 ↓
Lo Low (pH 4.5-6) 2.23 7.96 -61.83 2 9 1 99 497.568 10 ↓

Activity (Go SEA)

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