Compound ID | SAD-SAT-1b030f84-3 |
ΔG / kcal M-1 | −6.4 ± 0.7 |
IC50 / µM | TBD |
pIC50 | TBD |
RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN135 | ADA-UCB-6c2cb422-1_1 |
|
SAD-SAT-1b030f84-3_1 |
|
1.5 ± 0.7 |
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