Compound ID | EN300-341337_3 |
ΔG / kcal M-1 | −10.1 ± 0.4 |
IC50 / µM | TBD |
pIC50 | TBD |
RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN13920 | MAT-POS-8a69d52e-7_1 | EN300-341337_3_4 | −3.4 ± 0.4 | ||||||||
RUN9080 | MAT-POS-8a69d52e-7_1 | EN300-341337_3_1 | −1.9 ± 0.3 |