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Table 1 List of evaluated libraries

From: A reliable computational workflow for the selection of optimal screening libraries

Vendor Library Size Avg. MW Avg. AlogP Avg. H-bond acceptors Avg. H-bond donors Avg. rotatable bonds
ASINEX Elite libraries 70,114 385.01 2.19 4.22 1.09 4.54
ASINEX Platinum collection 113,962 425.81 3.50 4.72 1.32 6.74
Chembridge DIVERSet™-CL 50,000 347.71 1.81 3.60 1.21 4.96
Chembridge DIVERSet™-EXP 50,000 321.82 2.64 3.35 1.02 4.10
Enamine Drug-like set 20,160 345.07 2.62 3.94 0.93 4.68
Enamine Pharmacological diversity set 10,240 360.80 3.02 3.92 1.02 5.22
Maybridge Screening collection 54,318 332.64 3.30 3.73 0.96 4.38
Prestwick Prestwick Chemical Library® 1280 344.16 1.43 4.36 1.83 5.07
Sigma MSII full library 10,000 312.98 2.51 3.54 1.16 3.90