| Compound ID | EN300-6494158_3 |
| ΔG / kcal M-1 | −10.7 ± 0.2 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1004 | MAT-POS-b3e365b9-1_1 |
|
EN300-6494158_3_2 |
|
−2.8 ± 0.4 |
|
|
||||
| RUN528 | MAT-POS-b3e365b9-1_1 |
|
EN300-6494158_3_1 |
|
−2.7 ± 0.3 |
|
|
||||
| RUN505 | MAT-POS-b3e365b9-1_1 |
|
EN300-6494158_3_3 |
|
−1.7 ± 0.3 |
|
|
||||
| RUN932 | MAT-POS-b3e365b9-1_1 |
|
EN300-6494158_3_4 |
|
−0.3 ± 0.3 |
|
|
||||