EDJ-MED-ee81482e-2

molecule

Metadata

Compound ID EDJ-MED-ee81482e-2

Computed quantities

ΔG / kcal M-1 −8.9 ± 0.5
pIC50 6.5 ± 0.4

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
RUN656 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-ee81482e-2_1 molecule 0.1 ± 0.5 work distributions bootstrapping convergence
Last updated 2022-01-13T01:50:30.089929+00:00
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