UCSF

ZINC09458162

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 31 No

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

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Other Names:

MFCD03779725

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) 1.59 2.81 -65.29 2 8 -1 119 426.445 10 ↓
Mid Mid (pH 6-8) 2.04 1.6 -34.96 3 8 0 117 427.453 9 ↓
Mid Mid (pH 6-8) 1.01 2.61 -26.47 2 8 0 113 427.453 10 ↓

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