UCSF

ZINC05045167

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2006 31 No

Popular Name: 3-hydroxy-4-(4-isopropoxy-3-methyl-benzoyl)-1-(3-methoxypropyl)-5-(4-pyridyl)-5H-pyrrol-2-one 3-hydroxy-4-(4-isopropoxy-3-meth…

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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) 2.52 7.71 -59.55 0 7 -1 92 423.489 9 ↓
Lo Low (pH 4.5-6) 2.52 6.96 -16.7 1 7 0 89 424.497 9 ↓

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