Compound ID | JAN-GHE-83b26c96-16 |
ΔG / kcal M-1 | −4.3 ± 0.2 |
IC50 / µM | TBD |
pIC50 | TBD |
RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN32 | ADA-UCB-6c2cb422-1_1 |
|
JAN-GHE-83b26c96-16_1 |
|
3.7 ± 0.2 |
![]() |
![]() |