Table 3. Comparative Table of Predicted pKa by the QSAR Model and Experimental pKa by the TNS Method.
heterolipid | predicted pKa | experimentala pKa(±SD) |
---|---|---|
HL-22 | 4.60 | 5.14 ± 0.02 |
HL-23 | 5.96 | 6.78 ± 0.17 |
HL-32 | 5.34 | 5.54 ± 0.04 |
HL-33 | 6.64 | 7.03 ± 0.04 |
HLysE-2 | 5.30 | 5.84 ± 0.11 |
HLysE-3 | 5.97 | 6.67 ± 0.08 |
HLysA-2 | 6.08 | 6.44 ± 0.05 |
HLysA-3 | 6.80 | 7.30 ± 0.03 |
n = 3, ±SD = standard deviation.