EDJ-MED-7d88f880-1

molecule

Metadata

Compound ID EDJ-MED-7d88f880-1

Computed quantities

ΔG / kcal M-1 −9.9 ± 0.1
pIC50 7.2 ± 0.1

Experimental data

ΔG / kcal M-1 TBD
pIC50 TBD
IC50 / µM TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN904 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-7d88f880-1_2 molecule −1.1 ± 0.2 work distributions bootstrapping convergence
RUN903 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-7d88f880-1_1 molecule −0.6 ± 0.2 work distributions bootstrapping convergence
Last updated 2022-01-13T14:44:25.069961+00:00
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