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and a measure for the number of rotatable bonds (NormBondFlx) are shown. The normal-
ized bond flexibility is calculated by dividing the number of rotatable bonds by the total
number of bonds, ranging from zero for a completely rigid structure to one for a chain of
single bonds. The libraries were designed with similar selection criteria, e.g. small, drug-
like, soluble fragments with both free and protected functionality, but differ significantly in
their calculated property distributions. In addition, all vendor libraries utilized some form
of diversity selection.
ALogP98 Distributions
20
15
10
5
0
-2
-1
0
1
2
3
4
5
ALogP98
Maybridge
ChemBridge
ActiveSight
Figure 9.2
Calculated AlogP98
[10]
distributions for ActiveSight, ChemBridge and Maybridge
fragment libraries.
Polar Surface Area Distributions
60
50
40
30
20
10
0
PSA
0
25
50
75
100
125
150
175
PSA
Maybridge
ChemBridge
ActiveSight
Figure 9.3
Polar surface area (PSA) distributions for ActiveSight, ChemBridge and Maybridge
fragment libraries.
