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. Author manuscript; available in PMC: 2015 Dec 15.
Published in final edited form as: Medchemcomm. 2014 Dec 1;5(12):1879–1886. doi: 10.1039/C4MD00291A

Table 7.

Selected properties of compounds 8, 35 and 37

Physicochemical properties
 PAMPA Pe (10−6 cm s−1)
Compound MW H bond donors H bond acceptors c log Pa c log D at pH 7.4a Carboxylic acid c-pKaa pH 7.4 pH 6.2 pH 5.0
8 389.5 2 7 3.8 1.2 4.2 ND ND ND
35 377.4 1 8 2.5 −1.3 3.0 0.69 0.41 1.9
37 391.4 0 8 2.6 2.6 N/A 52 45 56
a

Properties calculated using ACD labs prediction model.33,34