BCX-1812
Zenamivir
Oseltamivir
0.69
0.08
1.08
Gas-Phase
-0.61
-0.67
-1.64
COSMO
System Size Effect
-3.67
-2.78
-1.63
Region-10
-4.97
-3.53
-4.35
Whole
Solvation Effect
-7.49
-5.41
-10.26
Region-10 (Gas-Phase)
-6.8
-5.33
-9.18
Whole (Gas-Phase)
-11.16
-8.19
-11.89
Region-10 (COSMO)
-11.77
-8.86
-13.53
Whole (COSMO)
-5.27
-2.40
-4.14
Exp
Oseltamivir
Zanamivir
BCX-1812
Resistance
of Arg->Lys Mutant to the Neuraminidase Inhibitors