UCSF

ZINC08742453

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 33 No

Popular Name: 4-(4-butoxy-3-methylbenzoyl)-5-(4-ethylphenyl)-3-hydroxy-1-(2-methoxyethyl)-1,5-dihydro-2H-pyrrol-2-one 4-(4-butoxy-3-methylbenzoyl)-5-(…

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Other Names:

MFCD03301141

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) 5.15 11.55 -62.78 0 6 -1 79 450.555 11 ↓
Mid Mid (pH 6-8) 4.56 0.77 -11.89 0 6 0 72 451.563 11 ↓
Lo Low (pH 4.5-6) 5.15 10.74 -15.52 1 6 0 76 451.563 11 ↓

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