| Compound ID | EN300-6479181_1 |
| ΔG / kcal M-1 | −12.8 ± 0.3 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN3338 | MAT-POS-b3e365b9-1_1 |
|
EN300-6479181_1_4 |
|
−4.1 ± 0.3 |
|
|
||||
| RUN8066 | MAT-POS-b3e365b9-1_1 |
|
EN300-6479181_1_1 |
|
−2.9 ± 0.4 |
|
|
||||
| RUN5948 | MAT-POS-b3e365b9-1_1 |
|
EN300-6479181_1_2 |
|
−2.3 ± 0.3 |
|
|
||||
| RUN7970 | MAT-POS-b3e365b9-1_1 |
|
EN300-6479181_1_3 |
|
−1.7 ± 0.3 |
|
|
||||