| Compound ID | EN300-6494158_2 |
| ΔG / kcal M-1 | −14.7 ± 0.2 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1418 | MAT-POS-8a69d52e-7_1 |
|
EN300-6494158_2_2 |
|
−2.2 ± 0.3 |
|
|
||||
| RUN420 | MAT-POS-8a69d52e-7_1 |
|
EN300-6494158_2_1 |
|
−1.7 ± 0.3 |
|
|
||||
| RUN244 | MAT-POS-8a69d52e-7_1 |
|
EN300-6494158_2_3 |
|
−1.3 ± 0.3 |
|
|
||||
| RUN2025 | MAT-POS-8a69d52e-7_1 |
|
EN300-6494158_2_4 |
|
−1.0 ± 0.4 |
|
|
||||