| Compound ID | EN300-6501360_2 |
| ΔG / kcal M-1 | −10.4 ± 0.6 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1046 | MAT-POS-b3e365b9-1_1 |
|
EN300-6501360_2_1 |
|
−2.5 ± 0.6 |
|
|
||||
| RUN602 | MAT-POS-b3e365b9-1_1 |
|
EN300-6501360_2_2 |
|
0.8 ± 0.4 |
|
|
||||