UCSF

ZINC09380656

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 33 No

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

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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) 4.77 10.67 -42.69 0 6 -1 79 450.555 9 ↓
Mid Mid (pH 6-8) 5.22 9.64 -26.87 1 6 0 76 451.563 8 ↓
Mid Mid (pH 6-8) 4.19 1.34 -20.56 0 6 0 72 451.563 9 ↓

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