Calculated physiochemical/pharmacokinetic properties of screened compounds^a.

ID	MW	HBD	HBA	QP log Po/w	QP log HERG	QPPCaco	QP log BB	QP log Khsa
Z28824346	276.062	2	4.5	0.552	−2.908	119.143	−0.802	−0.734
Z422952944	267.129	2	5.5	0.741	−2.344	201.733	−0.391	−0.782
Z826553418	225.222	2	6.5	−0.944	−2.395	57.863	−1.196	−0.992
Z31483741	199.252	3	3.75	−0.584	−1.316	37.134	−1.404	−0.973
Z279766864	260.283	2	6.25	0.278	−2.734	189.587	−0.86	−0.803
Z335452622	186.228	3	3.7	0.044	−2.773	203.189	−0.883	−0.904
Z1420422040	233.272	2	5.5	1.34	−4.332	737.139	−0.693	−0.297
Z1748646799	248.108	2	4.2	1.456	−2.723	679.558	−0.235	−0.611

^aMW = molecular weight, HBD = hydrogen bond donor, HBA = hydrogen bond acceptor, QP log P_o/w = octanol/water partition coefficient (recommended rage −2.0 to 6.5), QP log HERG = blockage of HERG K+ channels (recommended range < −5), QPP_Caco2 = Caco2 cell permeability (recommended range <25 poor, >500 great), QP log BB = brain/blood partition coefficient (recommended range −3.0 to 1.2), and QP log K_hsa = binding to human serum albumin (recommended range −1.5 to 1.5).³⁵