| Compound ID | EN300-246747_4 |
| ΔG / kcal M-1 | −13.9 ± 0.3 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1922 | MAT-POS-8a69d52e-7_1 |
|
EN300-246747_4_2 |
|
−2.1 ± 0.3 |
|
|
||||
| RUN1978 | MAT-POS-8a69d52e-7_1 |
|
EN300-246747_4_1 |
|
−0.9 ± 0.3 |
|
|
||||