Table 3. Ranges of cSAR(X) Values for Substituents for Adenine and Purine C8–X- and C2–X-Substituted Tautomersa.
cSAR(X) | ||||
---|---|---|---|---|
C8–X |
C2–X |
|||
AD | PU | AD | PU | |
NO2 | 0.061 | 0.036 | 0.044 | 0.045 |
CN | 0.048 | 0.021 | 0.034 | 0.028 |
CHO | 0.054 | 0.025 | 0.036 | 0.032 |
Cl | 0.056 | 0.031 | 0.058 | 0.053 |
F | 0.041 | 0.022 | 0.042 | 0.037 |
H | 0.039 | 0.019 | 0.032 | 0.028 |
Me | 0.050 | 0.027 | 0.049 | 0.045 |
OMe | 0.066 | 0.026 | 0.055 | 0.050 |
OH | 0.047 | 0.022 | 0.047 | 0.043 |
NH2 | 0.020 | 0.013 | 0.061 | 0.035 |
range | 0.046 | 0.023 | 0.029 | 0.025 |
average | 0.048 | 0.024 | 0.046 | 0.040 |
SD | 0.013 | 0.006 | 0.010 | 0.009 |
Entries in bold underline the obtained values for unsubstituted adenine and purine tautomers.