pKa by
potentiometry
pKa by
CE
pKaby
ADME Boxes
pKa by
ACD/pKa Classic
pKaby
ACD/pKaGALAS
2 3.339 4.037 4.70 2.85 4.60
3 3.164 2.534 4.70 2.47 4.60
4 3.875 3.480 5.10 2.02 5.10
5 3.680
4.481
3.708 3.70
5.00
2.17
2.70
3.50
4.80
6 2.033
3.271
2.685 3.40
5.40
0.09
2.10
2.80
4.60
7 4.002 4.044 5.30 4.66 5.20
8 4.197 4.192 4.70 3.02 4.70
9 - 3.858 4.30
5.60
0.59
4.56
3.90
5.30
Table 1: Measured and predicted pKa values for tested compounds 2-9.