Table 4.
Compounds | X | Binding Energy (kcal/mol) |
Compounds | Y | Binding Energy (kcal/mol) |
---|---|---|---|---|---|
7 | NH2 | −5.47 | 22 | NH2 | −5.25 |
8 | F | −5.39 | 23 | F | −5.40 |
9 | Br | −6.20 | 24 | Br | −6.13 |
10 | I | −6.30 | 25 | I | −6.25 |
11 | Cl | −6.01 | 26 | Cl | −5.92 |
12 | −5.26 | 27 | −4.80 | ||
13 | −6.34 | 28 | −6.23 | ||
14 | −6.53 | 29 | −6.84 | ||
15 | −6.72 | 30 | −6.50 | ||
16 | Methyl | −5.94 | 31 | Methyl | −5.86 |
17 | Ethyl | −6.53 | 32 | Ethyl | −6.56 |
18 | −6.56 | 33 | −6.56 | ||
19 | CN | −6.66 | 34 | CN | −6.11 |
20 | OH | −5.83 | 35 | OH | −5.66 |
21 | −7.13 | 36 | −6.89 | ||
Thioflavin T | −8.29 | - |