Structure Data Files of the libraries described below are available on request only. Please contact us at
. If you don’t find a library of your interest we will be happy to use our in-depth medicinal chemistry knowledge in different therapeutical areas to prepare a custom targeted library or focused set for you. We collaborate with renowned specialists from the industry in design of our libraries.
Antibacterial Library: 12 730 compounds. Comparison of the molecular properties of the known antibacterials with those of other drugs showed a huge difference in polarity of the molecules. Antibacterials tend to have much higher PSA when compared to drugs of similar surface area. Using filters of relative PSA > 35%, MW lower than 450 Da (14 HA), and ClogD7.4 < 1 we prepared a library of compounds which structures were rich in ionizable moieties such as zwitterions, carboxylic groups, as well as in multiple pharmacophores: OH, -SO2NH2, -CONH2, and -NHCONH-.