Compound ID | EN300-06654_1 |
ΔG / kcal M-1 | −13.4 ± 0.2 |
IC50 / µM | TBD |
pIC50 | TBD |
RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN3670 | MAT-POS-8a69d52e-7_1 | EN300-06654_1_1 | −2.6 ± 0.3 | ||||||||
RUN3674 | MAT-POS-8a69d52e-7_1 | EN300-06654_1_1 | −2.5 ± 0.3 |