| Compound ID | EN300-19700_1 |
| ΔG / kcal M-1 | −9.9 ± 0.1 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN381 | MAT-POS-b3e365b9-1_1 |
|
EN300-19700_1_1 |
|
−2.0 ± 0.3 |
|
|
||||
| RUN373 | MAT-POS-b3e365b9-1_1 |
|
EN300-19700_1_1 |
|
−1.8 ± 0.2 |
|
|
||||
| RUN389 | MAT-POS-b3e365b9-1_1 |
|
EN300-19700_1_1 |
|
−1.5 ± 0.2 |
|
|
||||