Compound ID | MIC-UNK-c85ea37c-3 |
ΔG / kcal M-1 | −8.7 ± 0.9 |
pIC50 | 6.4 ± 0.7 |
ΔG / kcal M-1 | TBD |
pIC50 | TBD |
IC50 / µM | TBD |
RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN2151 | MAT-POS-c7726e07-5_1 |
|
MIC-UNK-c85ea37c-3_2 |
|
−1 ± 1 |
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RUN2152 | MAT-POS-c7726e07-5_1 |
|
MIC-UNK-c85ea37c-3_2 |
|
0.3 ± 0.9 |
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RUN2156 | MAT-POS-c7726e07-5_1 |
|
MIC-UNK-c85ea37c-3_2 |
|
0.3 ± 1.0 |
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RUN2149 | MAT-POS-c7726e07-5_1 |
|
MIC-UNK-c85ea37c-3_1 |
|
0.7 ± 0.8 |
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RUN2153 | MAT-POS-c7726e07-5_1 |
|
MIC-UNK-c85ea37c-3_1 |
|
2.1 ± 0.9 |
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RUN2154 | MAT-POS-c7726e07-5_1 |
|
MIC-UNK-c85ea37c-3_1 |
|
2.3 ± 0.8 |
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