UCSF

ZINC09243149

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 34 No

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

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Other Names:

MFCD03779711

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) 3.78 7.96 -62.51 1 7 -1 99 466.554 11 ↓
Mid Mid (pH 6-8) 3.19 -1.68 -11.28 1 7 0 93 467.562 11 ↓
Mid Mid (pH 6-8) 4.22 7.72 -12.24 2 7 0 96 467.562 10 ↓

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