Table 4 ADME-Tox prediction

Solubility^a H2O (mg mL⁻¹)

0.01

0.55

LogD^b pH 1.7 (stomach)

6.75

6.18

LogD^b pH 4.6 (duodenum)

6.57

6.18

LogD^b pH 6.5 (jejunum, ileum)

5.14

6.18

LogD^b pH 7.4 (blood)

4.26

6.18

LogD^b pH 8.0 (colon)

3.69

6.18

% oral bioavailability^c

>30

>30

Absorption^d (cm s⁻¹)

7.51x10⁻⁴

7.2x10⁻⁴

Distribution^e (L kg⁻¹)

0.5

3.96

Ames test^f

0.84

0.84

Prob. of Blood effect^g

0.47

0.52

Prob. of Cardiovascular system effect^g

0.07

0.30

Prob. of gastrointestinal system effect^g

0.04

0.07

Prob. of kidney effect^g

0.69

0.75

Prob. of liver effect^g

0.33

0.32

Prob. of lung effect^g

0.79

0.70