UCSF

ZINC20134987

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 34 No

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

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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) 1.65 5.59 -62.48 0 9 -1 105 469.514 9 ↓
Mid Mid (pH 6-8) 1.65 7.92 -82.71 1 9 0 106 470.522 9 ↓
Lo Low (pH 4.5-6) 1.65 7.1 -61.38 2 9 1 103 471.53 9 ↓

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