| Compound ID | EN300-1911992_3 |
| ΔG / kcal M-1 | −10.3 ± 0.4 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN449 | MAT-POS-b3e365b9-1_1 |
|
EN300-1911992_3_4 |
|
−2.8 ± 0.4 |
|
|
||||
| RUN337 | MAT-POS-b3e365b9-1_1 |
|
EN300-1911992_3_2 |
|
−1.1 ± 0.4 |
|
|
||||
| RUN695 | MAT-POS-b3e365b9-1_1 |
|
EN300-1911992_3_3 |
|
−0.5 ± 0.5 |
|
|
||||
| RUN481 | MAT-POS-b3e365b9-1_1 |
|
EN300-1911992_3_1 |
|
−0.2 ± 0.4 |
|
|
||||