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Summary of physico-chemical properties (often used to predict ‘drug-likeness’) of the compounds within the p-ANAPL library.

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Figshare2015-12-02 更新2026-04-29 收录
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https://figshare.com/articles/dataset/_Summary_of_physico_chemical_properties_often_used_to_predict_8216_drug_likeness_8217_of_the_compounds_within_the_p_ANAPL_library_/952328
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aLibrary; bNumber of tautomers; cMolecular weight; dLogarithm of n-octanol/water partition coefficient; eNumber of hydrogen bond acceptors; fNumber of hydrogen bond donors; gNumber of rotatable single bonds; hMaximum number; iMinimum number; jMean value; kThe “drug-like” library was selected following Lipinski’s criteria [44]–[45]; lThe “lead-like” library was selected following Oprea’s criteria [46]–[48]; mThe “fragment-like” library was selected following Verdonk’s criteria [50].
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2015-12-02
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