Table 1.
Model Drug | Molecular Weight (MW) | Log Ko/w (pH) | pKa |
---|---|---|---|
FD-4 | ca. 4000 | −0.77 (7.4) (e) | 6.7 (h) |
Ca-Na | 644.5 | −3.50 (7.4) (f) | 5.5 (i) |
FL-Na | 376.3 | −0.61 (7.4) (e) | 6.4 (e) |
ISDN | 236.1 | 1.23 (7.4) (g) | - |
LC | 234.3 | −0.90 (5.0) (b) 1.40 (10.0) (d) | 7.9 (j) |
AMP | 231.3 | −1.00 (3.0) (a) 0.98 (7.4) (c) | 5.0 (k) |
IP | 206.3 | 1.93 (3.0) (a) 1.25 (7.4) (c) | 4.9 (l) |
BP | 194.2 | 3.50 (7.4) (c) | 8.3 (m) |
ISMN | 191.1 | −0.15 (7.4) (g) | - |
(a) n-octanol/pH 3.0 citrate buffer log Ko/w at 32 °C; (b) n-octanol/pH 5.0 citrate buffer log Ko/w at 32 °C; (c) n-octanol/pH 7.4 phosphate buffer log Ko/w at 32 °C; (d) n-octanol/pH 10.0 carbonate buffer log Ko/w at 32 °C; (e) n-octanol/pH 7.4 phosphate buffer log Ko/w at 32 °C [8]; (f) n-octanol/pH 7.4 phosphate buffer log Ko/w at 32 °C [25]; (g) n-octanol/pH 7.4 phosphate buffer log Ko/w at 32 °C [26]; (h) pKa at 25 °C [27]; (i) pKa at 25 °C [28]; (j) pKa at 25 °C [29]; (k) pKa at 25 °C [30]; (l) pKa at 25 °C [31]; (m) pKa at 25 °C [32].