| Compound ID | EN300-1911992_1 |
| ΔG / kcal M-1 | −10.9 ± 0.4 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1751 | MAT-POS-b3e365b9-1_1 |
|
EN300-1911992_1_2 |
|
−3.4 ± 0.4 |
|
|
||||
| RUN1703 | MAT-POS-b3e365b9-1_1 |
|
EN300-1911992_1_4 |
|
−0.6 ± 0.3 |
|
|
||||
| RUN1144 | MAT-POS-b3e365b9-1_1 |
|
EN300-1911992_1_1 |
|
0.2 ± 0.2 |
|
|
||||
| RUN1264 | MAT-POS-b3e365b9-1_1 |
|
EN300-1911992_1_3 |
|
0.4 ± 0.3 |
|
|
||||