UCSF

ZINC05800529

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2006 28 No

Popular Name: 4-[hydroxy-(4-methoxyphenyl)-methylene]-1-(5-methylisoxazol-3-yl)-5-(2-thienyl)pyrrolidine-2,3-dione 4-[hydroxy-(4-methoxyphenyl)-met…

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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) 2.86 8.21 -65.77 0 7 -1 96 395.416 5 ↓
Mid Mid (pH 6-8) 3.31 1.06 -18.09 1 7 0 92 396.424 4 ↓
Mid Mid (pH 6-8) 2.28 0.32 -11.3 0 7 0 89 396.424 5 ↓

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