| Compound ID | MIC-UNK-257d841f-1 |
| ΔG / kcal M-1 | −4.5 ± 0.9 |
| pIC50 | 3.2 ± 0.7 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN892 | MAT-POS-c7726e07-5_1 |
|
MIC-UNK-257d841f-1_2 |
|
0.1 ± 0.9 |
|
|
|
|||
| RUN894 | MAT-POS-c7726e07-5_1 |
|
MIC-UNK-257d841f-1_1 |
|
0.7 ± 1.0 |
|
|
|
|||
| RUN891 | MAT-POS-c7726e07-5_1 |
|
MIC-UNK-257d841f-1_1 |
|
2.7 ± 0.9 |
|
|
|
|||
| RUN893 | MAT-POS-c7726e07-5_1 |
|
MIC-UNK-257d841f-1_2 |
|
7.1 ± 0.6 |
|
|
|
|||
