DSI Poised Fragment Library

The DSI-poised fragment libaray consists of ~768 fragments in 500 mM d6-DMSO. This library was screened against apo MurD and MurE as part of the FragmentScreening-XChem project. The full fragment screening deck may be found here.

The calculated properties of the library are shown below.

Whilst molecular weight, LogP and HBA/D are in the expected range it is perhaps worth noting that there are few fragments predicted to be ionised (acid/base) at physiological pH.