Compound ID | EN300-6479181_1 |
ΔG / kcal M-1 | −10.4 ± 0.3 |
IC50 / µM | TBD |
pIC50 | TBD |
RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN8761 | MAT-POS-8a69d52e-7_1 | EN300-6479181_1_1 | −4.3 ± 0.4 | ||||||||
RUN9580 | MAT-POS-8a69d52e-7_1 | EN300-6479181_1_4 | −2.7 ± 0.3 | ||||||||
RUN8568 | MAT-POS-8a69d52e-7_1 | EN300-6479181_1_3 | −2.6 ± 0.2 | ||||||||
RUN9589 | MAT-POS-8a69d52e-7_1 | EN300-6479181_1_2 | −1.1 ± 0.3 |