| Compound ID | EN300-140582_1 |
| ΔG / kcal M-1 | −9.8 ± 0.2 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN6700 | MAT-POS-8a69d52e-7_1 |
|
EN300-140582_1_3 |
|
−3.7 ± 0.2 |
|
|
||||
| RUN9413 | MAT-POS-8a69d52e-7_1 |
|
EN300-140582_1_2 |
|
−2.5 ± 0.3 |
|
|
||||
| RUN6760 | MAT-POS-8a69d52e-7_1 |
|
EN300-140582_1_1 |
|
−1.9 ± 0.3 |
|
|
||||
| RUN2747 | MAT-POS-8a69d52e-7_1 |
|
EN300-140582_1_4 |
|
−1.6 ± 0.3 |
|
|
||||