Compound ID | EDJ-MED-dfa1d800-2 |
ΔG / kcal M-1 | −5.8 ± 0.4 |
pIC50 | 4.2 ± 0.3 |
ΔG / kcal M-1 | TBD |
pIC50 | TBD |
IC50 / µM | TBD |
RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN1021 | MAT-POS-c7726e07-5_1 |
|
EDJ-MED-dfa1d800-2_1 |
|
−0.5 ± 0.6 |
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RUN1024 | MAT-POS-c7726e07-5_1 |
|
EDJ-MED-dfa1d800-2_1 |
|
0.4 ± 0.5 |
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RUN1022 | MAT-POS-c7726e07-5_1 |
|
EDJ-MED-dfa1d800-2_1 |
|
0.5 ± 0.4 |
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RUN1026 | MAT-POS-c7726e07-5_1 |
|
EDJ-MED-dfa1d800-2_1 |
|
1.8 ± 0.4 |
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