UCSF

ZINC09273018

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 35 No

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

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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) 5.62 12.37 -63.03 0 6 -1 79 478.609 10 ↓
Mid Mid (pH 6-8) 6.07 11.34 -28.53 1 6 0 76 479.617 9 ↓
Mid Mid (pH 6-8) 5.04 12.31 -21.99 0 6 0 73 479.617 10 ↓

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