| Compound ID | MIC-UNK-5a93dd5f-9 |
| ΔG / kcal M-1 | −7.9 ± 0.2 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1228 | ADA-UCB-6c2cb422-1_1 |
|
MIC-UNK-5a93dd5f-9_8 |
|
0.0 ± 0.3 |
|
|
||||
| RUN1229 | ADA-UCB-6c2cb422-1_1 |
|
MIC-UNK-5a93dd5f-9_7 |
|
0.2 ± 0.4 |
|
|
||||
| RUN1224 | ADA-UCB-6c2cb422-1_1 |
|
MIC-UNK-5a93dd5f-9_5 |
|
0.5 ± 0.4 |
|
|
||||
| RUN1227 | ADA-UCB-6c2cb422-1_1 |
|
MIC-UNK-5a93dd5f-9_6 |
|
3.2 ± 0.7 |
|
|
||||
| RUN1223 | ADA-UCB-6c2cb422-1_1 |
|
MIC-UNK-5a93dd5f-9_4 |
|
7.8 ± 0.4 |
|
|
||||
| RUN1222 | ADA-UCB-6c2cb422-1_1 |
|
MIC-UNK-5a93dd5f-9_3 |
|
8.2 ± 0.4 |
|
|
||||
| RUN1220 | ADA-UCB-6c2cb422-1_1 |
|
MIC-UNK-5a93dd5f-9_2 |
|
10.0 ± 0.2 |
|
|
||||
| RUN1221 | ADA-UCB-6c2cb422-1_1 |
|
MIC-UNK-5a93dd5f-9_1 |
|
14.0 ± 0.3 |
|
|
||||