Scores estimated by molecular docking (ChemScore fitness function) for colchicine binding site of β-tubulin, cLogP, cLogD7.0, molar refractivity and the aqueous solubility of CA-4 and its N-acylhydrazone analogues 5a–r.
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https://figshare.com/articles/dataset/_Scores_estimated_by_molecular_docking_ChemScore_fitness_function_for_colchicine_binding_site_of_tubulin_cLogP_cLogD_7_0_molar_refractivity_and_the_aqueous_solubility_of_CA_4_and_its_N_acylhydrazone_analogues_5a_8211_r_/957156
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1Values shown are the mean of 5 runs;2cLogP and cLogD (pH 7.0) were calculated using MetaSite Program (license number: URJ181011);3molar refractivity (MR) calculated with ChemSketch 12.0 (Freeware Version);4Solubility was determined by ultraviolet spectroscopy, as described by Schneider and co-workers.
创建时间：
2015-12-02
