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. 2020 Nov 30;5(49):32023–32031. doi: 10.1021/acsomega.0c04931

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
a

n = 3, ±SD = standard deviation.