UORSY 中的多羟基化合物库包含16911个化合物。常见的样式包括:(1)含有四个以上氟或氯原子的化合物;(2)含有硫的脂肪环和芳香环;(3)氧杂唑/噁唑啉;(4)含氧脂肪杂环;(5)活化的氯;(6)环丙烷;(7)支链脂肪链;(8)“不理想”的药物基团(肟类、氨基甲酸酯、氰胺、硫脲等)。UORSY 农药库的物理化学特性:180 Hydrogen bonding, one of the major types of protein-ligand interactions, commonly occurs between polar residues especially those with hydroxyl moieties. Consequently, polyhydroxylated fragments are frequently found in natural and natural-like compounds such as oxopolyene macrolide antibiotics, polyketide-derived natural products, and statins with 1,2- or 1,3-diol subunits. Considering the above-mentioned observations, we have created a conceptually new set of polyhydroxy compounds. The set comprises compounds bearing at least two hydroxyl groups, which are directly attached to sp3 hybridized carbon atoms.
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