UCSF

ZINC09013546

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2007 29 No

Popular Name: 4-(4-ethoxybenzoyl)-5-(2-furyl)-3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-1,5-dihydro-2H-pyrrol-2-one 4-(4-ethoxybenzoyl)-5-(2-furyl)-…

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Other Names:

MFCD03779720

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) 1.33 3.47 -62.36 1 8 -1 112 400.407 10 ↓
Mid Mid (pH 6-8) 0.74 -3.02 -17.48 1 8 0 106 401.415 10 ↓
Mid Mid (pH 6-8) 0.14 5.14 -45.59 2 6 1 65 320.413 6 ↓
Mid Mid (pH 6-8) 0.14 2.78 -15.42 1 6 0 64 319.405 6 ↓
Lo Low (pH 4.5-6) 1.33 2.65 -18.04 2 8 0 109 401.415 10 ↓

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