UCSF

ZINC08739432

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 33 No

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

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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) 1.90 6.35 -55.54 0 8 -1 95 450.515 9 ↓
Mid Mid (pH 6-8) 1.32 -1.46 -53.76 1 8 1 90 452.531 9 ↓
Mid Mid (pH 6-8) 1.90 8.69 -72.53 1 8 0 96 451.523 9 ↓
Lo Low (pH 4.5-6) 2.35 -0.99 -118.08 3 8 2 94 453.539 8 ↓
Lo Low (pH 4.5-6) 1.32 -1.34 -109.75 2 8 2 91 453.539 9 ↓

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