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. 2022 Jun 21;27(13):3995. doi: 10.3390/molecules27133995

Table 1.

pKa and standard deviation values, calculated using leave-one-out cross validation.

No. UAs pKa1 SD pKa2 SD pKa3 SD pKa4 SD pKa5 SD
1 C-2028 2.194 0.005 6.139 0.001 7.397 0.005 8.546 0.02 - -
2 C-2041 2.435 0.004 5.843 0.005 7.158 0.004 - - - -
3 C-2045 2.301 0.003 6.120 0.002 7.327 0.006 - - 9.137 0.04
4 C-2053 2.285 0.005 5.997 0.002 7.522 0.003 8.235 0.004 - -