UCSF

ZINC09380495

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 38 No

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

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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) 6.12 14.27 -40.67 0 6 -1 83 511.642 10 ↓
Mid Mid (pH 6-8) 6.56 13.62 -29.61 1 6 0 80 512.65 9 ↓
Mid Mid (pH 6-8) 5.53 1.6 -22.83 0 6 0 76 512.65 10 ↓
Lo Low (pH 4.5-6) 6.56 13.9 -54.9 2 6 1 81 513.658 9 ↓
Lo Low (pH 4.5-6) 5.53 1.71 -58.89 1 6 1 77 513.658 10 ↓

Activity (Go SEA)

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