UCSF

ZINC09370553

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 36 No

Popular Name: 4-(4-butoxy-3-methyl-benzoyl)-5-(4-ethylphenyl)-3-hydroxy-1-(3-pyridylmethyl)-5H-pyrrol-2-one 4-(4-butoxy-3-methyl-benzoyl)-5-…

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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) 5.33 12.81 -62.68 0 6 -1 83 483.588 10 ↓
Mid Mid (pH 6-8) 5.77 11.85 -29.81 1 6 0 80 484.596 9 ↓
Mid Mid (pH 6-8) 4.74 12.85 -25.42 0 6 0 77 484.596 10 ↓
Lo Low (pH 4.5-6) 5.33 12.46 -42.27 2 6 1 81 485.604 10 ↓
Lo Low (pH 4.5-6) 4.74 13.13 -50.92 1 6 1 78 485.604 10 ↓

Activity (Go SEA)

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