UCSF

ZINC09020015

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2007 35 No

Popular Name: 3-hydroxy-4-(4-isobutoxy-2-methyl-benzoyl)-1-(3-methoxypropyl)-5-(4-nitrophenyl)-5H-pyrrol-2-one 3-hydroxy-4-(4-isobutoxy-2-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) 4.15 11.99 -54.35 0 9 -1 125 481.525 11 ↓
Mid Mid (pH 6-8) 3.56 11.97 -23.02 0 9 0 119 482.533 11 ↓
Mid Mid (pH 6-8) 4.59 11.38 -19.65 1 9 0 122 482.533 10 ↓

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