Compound ID | Generic Name | G-Score (kcal/mol) | Align Score | Vector Score | Volume Score | Fitness | Predicted activity (pIC50) |
---|---|---|---|---|---|---|---|
CHEMBL76 | Chloroquine | -3.80 | 0.1086 | 0.9996 | 0.5197 | 2.4288 | 6.208 |
CHEMBL1535 | Hydroxychloroquine | -4.53 | 0.1995 | 0.9973 | 0.3341 | 2.1652 | 6.207 |
CHEMBL303933 | Piperaquine | -5.30 | 0.2720 | 0.9781 | 0.3049 | 2.0563 | 6.19 |
CHEMBL506 | Primaquine | -5.86 | 0.4463 | 0.8889 | 0.4954 | 2.0124 | 6.192 |
CHEMBL2104009 | Amquinate | -5.41 | 0.6142 | 0.9499 | 0.355 | 1.7931 | 6.205 |
CHEMBL416956 | Mefloquine | -5.28 | 0.5712 | 0.7183 | 0.3248 | 1.5672 | 6.20 |
CHEMBL682 | Amodiaquine | -4.48 | 0.6480 | 0.7838 | 0.2687 | 1.5126 | 6.385 |
CHEMBL36 | Pyrimethamine | -5.07 | 0.9521 | 0.9257 | 0.3390 | 1.4712 | 6.207 |
CHEMBL339049 | Tebuquine | -4.55 | 0.6093 | 0.7422 | 0.2286 | 1.4630 | 6.264 |
CHEMBL35228 | Pyronaridine | -5.68 | 0.6975 | 0.8185 | 0.2050 | 1.4422 | 6.198 |