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Table 2 Basic physical parameter of compound 31

From: Fragment-based virtual screening discovers potential new Plasmodium PI4KIIIβ ligands

Molecular descriptor

Value

MW

324.33

logP

2.45

HBA

6

HBD

1

NRB

2

TPSA

197.84

NHA

24

  1. TPSA, total polar surface area (Å2); NRB, number of rotatable bonds; HBD, hydrogen bond acceptor; HBD, hydrogen bond donor; logP lipophilicity; MW, molar weight (Da); NHA, number of heavy atoms
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BMC Chemistry

ISSN: 2661-801X

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