UCSF

ZINC09471274

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 33 No

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

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Other Names:

MFCD03779719

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) 2.50 6.38 -61.69 1 8 -1 108 454.499 12 ↓
Mid Mid (pH 6-8) 2.95 4.82 -27.91 2 8 0 106 455.507 11 ↓
Mid Mid (pH 6-8) 1.92 5.79 -20.61 1 8 0 102 455.507 12 ↓

Activity (Go SEA)

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