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. 2023 Apr 28;79(Pt 4):304–317. doi: 10.1107/S2059798323001778

Table 2. Properties of the fragment hits.

Properties are according to the NCI browser database (https://cactus.nci.nih.gov/ncidb2.2/).

Compound Molecular mass (Da) Hydrogen-bond acceptors/donors LogP Rotatable bonds
Sulfaguanidine 214.2 4/4 −1.07 3
Fragment 18 188.2 5/3 −1.03 1
Fragment 20 172.2 4/2 −0.55 1
Fragment 24 173.2 4/2 0.25 2
Fragment 26 215.3 5/3 −0.45 3
Fragment 34 172.2 4/2 −0.55 1
Fragment 39 173.2 4/3 −0.65 1
Fragment 50 233.3 4/2 1.49 2
Fragment 76 187.2 4/1 1.07 3
Fragment 78 201.2 4/0 1.28 3
Fragment 86 235.7 4/0 1.93 3