UCSF

ZINC09374621

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 34 No

Popular Name: 4-(4-butoxybenzoyl)-3-hydroxy-1-[2-(4-morpholinyl)ethyl]-5-(4-pyridinyl)-1,5-dihydro-2H-pyrrol-2-one 4-(4-butoxybenzoyl)-3-hydroxy-1-…

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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) 2.46 7.12 -55.48 0 8 -1 95 464.542 10 ↓
Mid Mid (pH 6-8) 1.88 -1.34 -53.81 1 8 1 90 466.558 10 ↓
Mid Mid (pH 6-8) 2.91 8.86 -47.54 2 8 1 93 466.558 9 ↓
Mid Mid (pH 6-8) 2.46 9.47 -72.64 1 8 0 96 465.55 10 ↓
Lo Low (pH 4.5-6) 2.91 9.16 -115.29 3 8 2 95 467.566 9 ↓
Lo Low (pH 4.5-6) 1.88 -1.22 -109.8 2 8 2 91 467.566 10 ↓

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