UCSF

ZINC09086203

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 37 No

Popular Name: 4-(4-butoxy-3-methyl-benzoyl)-3-hydroxy-5-(3-nitrophenyl)-1-(3-pyridylmethyl)-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) 4.35 12.13 -52.48 0 9 -1 128 500.531 10 ↓
Mid Mid (pH 6-8) 3.76 12.08 -23.51 0 9 0 122 501.539 10 ↓
Mid Mid (pH 6-8) 4.79 11.1 -26.55 1 9 0 126 501.539 9 ↓
Lo Low (pH 4.5-6) 3.76 12.38 -60.13 1 9 1 124 502.547 10 ↓
Lo Low (pH 4.5-6) 4.79 11.4 -60.61 2 9 1 127 502.547 9 ↓

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