| Compound ID | MIC-UNK-8373f97b-4 |
| ΔG / kcal M-1 | −7.1 ± 0.1 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1023 | ADA-UCB-6c2cb422-1_1 |
|
MIC-UNK-8373f97b-4_3 |
|
1.6 ± 0.2 |
|
|
||||
| RUN1022 | ADA-UCB-6c2cb422-1_1 |
|
MIC-UNK-8373f97b-4_1 |
|
2.2 ± 0.2 |
|
|
||||
| RUN1037 | ADA-UCB-6c2cb422-1_1 |
|
MIC-UNK-8373f97b-4_8 |
|
3.0 ± 0.3 |
|
|
||||
| RUN1027 | ADA-UCB-6c2cb422-1_1 |
|
MIC-UNK-8373f97b-4_6 |
|
3.4 ± 0.3 |
|
|
||||
| RUN1033 | ADA-UCB-6c2cb422-1_1 |
|
MIC-UNK-8373f97b-4_7 |
|
3.5 ± 0.2 |
|
|
||||
| RUN1024 | ADA-UCB-6c2cb422-1_1 |
|
MIC-UNK-8373f97b-4_4 |
|
3.5 ± 0.3 |
|
|
||||
| RUN1025 | ADA-UCB-6c2cb422-1_1 |
|
MIC-UNK-8373f97b-4_5 |
|
4.2 ± 0.3 |
|
|
||||
| RUN1026 | ADA-UCB-6c2cb422-1_1 |
|
MIC-UNK-8373f97b-4_2 |
|
5.7 ± 0.3 |
|
|
||||