Pubchemid | Binding Free Energy (kcalmol-1) |
Coulombic Energy of Complex (kcalmol-1) | Van der Waals Energy of the Complex (kcalmol-1) | Covalent Energy (kcalmol-1) | Coulombic Binding Energy (kcalmol-1) | Solvation Binding Energy (kcalmol-1) |
---|---|---|---|---|---|---|
53477671 | -49.5 | -38.8 | -40.1 | -21.6 | -11092.4 | -2168.6 |
53380834 | -44.6 | -51.4 | -36.2 | 7.0 | -10964.1 | -2146.9 |
53380009 | -40.3 | -14.1 | -49.0 | -10.5 | -10982.1 | -2169.7 |
53380100 | -37.0 | -16.4 | -49.9 | -13.2 | -10985 | -2161.7 |
53380199 | -34.5 | -15.0 | -35.7 | -12.4 | -10958.1 | -2195.5 |
53380835 | -33.4 | -2.4 | -42.7 | 4.1 | -10912.6 | -2184.5 |
46173525 | -30.1 | -16.2 | -37.7 | -12.6 | -11022.8 | -2193.3 |
25245165 | -30.0 | 35.6 | -24.4 | -22.6 | -10999.6 | -2257.0 |
53380837 | -28.7 | -42.2 | -27.7 | 2.9 | -10963.3 | -2141.5 |
53380300 | -22.2 | -26.3 | -31.0 | -10.2 | -10974.4 | -2172.3 |
53380836 | -21.6 | -33.6 | -36.9 | 3.6 | -10952.3 | -2152.5 |
53380098 | -21.2 | -21.5 | -41.1 | -5.9 | -10984.4 | -2152.3 |
53380198 | -19.0 | -46.5 | -46.7 | -5.8 | -10923.2 | -2127.8 |
53380097 | -18.3 | -3.3 | -51.8 | -12.0 | -10970.7 | -2162.9 |
4487899 | -17.1 | -17.3 | -32.9 | -16.7 | -11037.6 | -2180.2 |
53379838 | -16.3 | -27.3 | -35.3 | -12.9 | -11064 | -2180.0 |
53462026 | -14.6 | 4.5 | -28.2 | -15.6 | -11034.4 | -2202.5 |
53380197 | -14.5 | 42.8 | -41.9 | -4.6 | -10915.6 | -2213.4 |
45479488 | -14.5 | -14.2 | -30.7 | -10.4 | -11044.8 | -2193.9 |
127297 | -14.1 | 37.4 | -40.0 | -10.3 | -11017.1 | -2216.8 |
185839 | -12.8 | 7.8 | -36.5 | -21.5 | -10976.9 | -2207.2 |
178749 | -12.8 | 7.8 | -36.5 | -21.5 | -10976.9 | -2207.2 |
46173206 | -12.0 | -22.4 | -21.4 | -21.2 | -11037.2 | -2184.6 |
46173429 | -10.0 | -14.2 | -19.6 | -16.7 | -11070.1 | -2172.9 |
53380200 | -9.1 | 14.4 | -47.7 | -7.3 | -10940.1 | -2181.8 |
53380099 | -8.8 | 8.0 | -37.7 | -1.4 | -10967.2 | -2171.5 |
46173281 | -8.6 | -17.4 | -22.9 | -26.4 | -11030.5 | -2183.0 |
52949527 | -6.8 | 4.1 | -25.5 | -19.3 | -11021.6 | -2196.5 |
23675791 | -5.8 | 9.7 | -35.5 | -21.7 | -10969.9 | -2206.7 |
10747577 | -5.7 | -21.4 | -17.0 | -13.5 | -11041.8 | -2187.5 |
16752673 | -2.5 | -5.5 | -32.1 | -14.4 | -11018.8 | -2177.1 |