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. Author manuscript; available in PMC: 2013 Oct 25.
Published in final edited form as: J Med Chem. 2012 Oct 12;55(20):8657–8670. doi: 10.1021/jm3008486

Table 3.

Distribution coefficients of anti-influenza compounds between octanol and PBS buffer.

Entry Compound cLog Pa cLog Db Log Dc
1 1a (OC) 0.45 −1.84 −1.69 ± 0.16 (−1.50)d
2 1b (OS) 1.49 −0.72 (0.36)d
3 2a (GOC) −0.22 −1.55 −1.41 ± 0.24
4 2b (GOS) 0.83 0.73 0.31 ± 0.05e
5 3a (TP) −1.25 −2.42 −1.04 ± 0.14
6 3b (TP2Et) 2.18 −1.39 0.22 ± 0.04
7 3c (TP1Et) −0.14 −1.52 −0.75 ± 0.10
8 4a (TPG) −1.92 −2.17 −0.98 ± 0.18
9 4b (TPG2Et) 1.51 −1.93 −0.10 ± 0.04
10 4c (TPG1Et) −0.81 −1.27 −0.37 ± 0.02
a

Calculated values using Advanced Chemistry Development (ACD/Labs) Software V12.01.

b

Calculated values using MarvinSketch (http://www.chemaxon.com/marvin/sketch/index.html)

c

Octanol–water partition coefficient determined at pH 7.4 from five repeated experiments.

d

Log D value at pH 7.4 (adapted from ref 20).

e

Log D value at pH 7.4 (adapted from ref 22).