S.N.
log P
Binding Site
Catalytic Site
Val
Ile
Asp
Thr
Gly
Substituent-R
Substituent-X
Substituent-Y
Substituent-Z
πr = 1.41
πr =1.8
πr =0.08
πr =0.16
πr =0
log PH
πR
πX
πY
πZ
Δπdr
1
1.79
-0.44
2.23
0.00
0.58
1.21
1.54
0.25
0.82
0.43
2.15
2.07
-----
2
3.00
0.77
1.78
1.22
1.46
3
4
2.60
0.37
1.39
1.06
5
2.13
-0.10
0.92
0.59
6
2.55
0.32
1.33
1.01
7
2.62
0.40
2.22
1.41
1.08
0.81
0.42
2.14
2.06
8
9
2.95
1.87
1.14
0.75
2.47
2.39
10
0.72
11
3.31
1.90
12
13
3.19
0.96
2.11
14
15
3.60
1.37
0.41
1.75
1.85
2.52
16
17
1.88
-0.35
0.47
0.80
18
0.79
1.09