Compound ID | MAT-POS-2492181e-6 |
ΔG / kcal M-1 | −11.2 ± 0.2 |
IC50 / µM | TBD |
pIC50 | TBD |
RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN101 | PET-UNK-29afea89-2_1 |
|
MAT-POS-2492181e-6_1 |
|
−4.5 ± 0.2 |
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