| Compound ID | EN300-221518_3 |
| ΔG / kcal M-1 | −10.7 ± 0.1 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1404 | MAT-POS-b3e365b9-1_1 |
|
EN300-221518_3_1 |
|
−2.6 ± 0.2 |
|
|
||||
| RUN1412 | MAT-POS-b3e365b9-1_1 |
|
EN300-221518_3_1 |
|
−2.5 ± 0.2 |
|
|
||||
| RUN1420 | MAT-POS-b3e365b9-1_1 |
|
EN300-221518_3_1 |
|
−2.4 ± 0.2 |
|
|
||||