Diversity Libraries

Life Chemicals Pre-plated Sets are designed to facilitate the screening process of our clients by providing access to the most popular screening libraries in a convenient manner. The compounds within the sets are formatted in 96- and/or 384-well plates of various types using our liquid handling lab.

Diversity Sets

Life Chemicals presents a number of exclusive Pre-Plated Diversity Sets composed of 50,000 novel compounds with optimal physicochemical properties selected from Life Chemicals collection of newly synthesized items by dissimilarity search with an average Tanimoto threshold of 82%. These Diverse Screening Sets are ideal starting points for customers looking for a wide range of dissimilarity to screen against a number of targets from different classes or where little information is available on targeted protein structure.

For your convenience we offer non-overlapping diversity sets of 5, 000, 10, 000, 15, 000 and 20, 000 compounds that can totally make up a blanket set of 50, 000 structures:

  • Lipinski Rule of Five and Veber criteria compliance
  • No reactive and unstable molecules
  • Lilly MedChem Rules
  • PAINS filters families A, B, C applied no overlap with previous Life Chemicals Diversity Set of 50,000 compounds

The parameters of the Diversity Sets are listed below:

Diversity SetAverage Values
  MW HbD HbAc СlogP RotB Fsp3 PSA Tanimoto
50K 360.70 1.50 4.00 2.62 5.00 0.31 117.80 0.82
20K 378.07 1.53 4.12 2.85 5.54 0.30 115.92 0.82
15K 368.21 1.50 4.13 2.62 5.10 0.31 118.26 0.73
10K 359.16 1.47 4.10 2.54 5.02 0.31 119.69 0.66
5K 338.97 1.47 3.97 2.49 4.59 0.30 119.97 0.59

 

Diversity SetNumber of CompoundsNumber of ScaffoldsNumber of Scaffold-based CompoundsNumber of Singletones
50K 50,240 2,242 42,283 7,957
20K 20,160 1,847 17,974 2,186
15K 15,040 1,947 12,904 2,136
10K 9,920 1,813 7,893 2,027
5K 5,120 1,413 3,378 1,742