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Table 4 Lipinski properties of the docked ligands

From: Molecular docking studies of dithionitrobenzoic acid and its related compounds to protein disulfide isomerase: computational screening of inhibitors to HIV-1 entry

Molecules Mw LogP H-donor H-acceptor
Dithionitrobenzoic acid 396.354 3.5 2 8
NSC695265 364.288 3.2 2 8
Thionitrobenzoic acid 199.185 1.9 1 4
2-nitro-5-thiocyanobenzoic acid 224.193 1.5 1 5
2-nitro-5-sulfo-sulfonyl-benzoic acid 279.247 0.3 2 7
NSC517871 396.351 3.5 2 8