| Compound ID | EN300-6479181_1 |
| ΔG / kcal M-1 | −10.4 ± 0.3 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN8761 | MAT-POS-8a69d52e-7_1 |
|
EN300-6479181_1_1 |
|
−4.3 ± 0.4 |
|
|
||||
| RUN9580 | MAT-POS-8a69d52e-7_1 |
|
EN300-6479181_1_4 |
|
−2.7 ± 0.3 |
|
|
||||
| RUN8568 | MAT-POS-8a69d52e-7_1 |
|
EN300-6479181_1_3 |
|
−2.6 ± 0.2 |
|
|
||||
| RUN9589 | MAT-POS-8a69d52e-7_1 |
|
EN300-6479181_1_2 |
|
−1.1 ± 0.3 |
|
|
||||