UCSF

ZINC17992648

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 29 No

Popular Name: 3-hydroxy-1-(2-methoxyethyl)-4-(4-propoxybenzoyl)-5-(4-pyridinyl)-1,5-dihydro-2H-pyrrol-2-one 3-hydroxy-1-(2-methoxyethyl)-4-(…

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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) 2.01 6.82 -60.36 0 7 -1 92 395.435 9 ↓
Mid Mid (pH 6-8) 1.43 7.11 -14.24 0 7 0 86 396.443 9 ↓
Mid Mid (pH 6-8) 2.01 6.79 -13.31 1 7 0 89 396.443 9 ↓
Lo Low (pH 4.5-6) 1.43 7.39 -48.62 1 7 1 87 397.451 9 ↓
Lo Low (pH 4.5-6) 2.01 7.07 -42.27 2 7 1 90 397.451 9 ↓

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