Compound ID | EN300-20496_3 |
ΔG / kcal M-1 | −13.5 ± 0.3 |
IC50 / µM | TBD |
pIC50 | TBD |
RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN1528 | MAT-POS-8a69d52e-7_1 | EN300-20496_3_2 | −3.0 ± 0.3 | ||||||||
RUN1424 | MAT-POS-8a69d52e-7_1 | EN300-20496_3_1 | −1.1 ± 0.3 |