UCSF

ZINC08739149

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 34 No

Popular Name: 4-(3,4-dimethoxybenzoyl)-3-hydroxy-5-(4-isopropylphenyl)-1-(5-methyl-3-isoxazolyl)-1,5-dihydro-2H-pyrrol-2-one 4-(3,4-dimethoxybenzoyl)-3-hydro…

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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) 4.06 11.2 -66.84 0 8 -1 105 461.494 7 ↓
Mid Mid (pH 6-8) 3.48 2.89 -12.17 0 8 0 98 462.502 7 ↓
Lo Low (pH 4.5-6) 4.06 10.38 -21.14 1 8 0 102 462.502 7 ↓

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