EDJ-MED-d4864bdc-3

molecule

Metadata

Compound ID EDJ-MED-d4864bdc-3

Computed quantities

ΔG / kcal M-1 −6.7 ± 0.3
pIC50 4.9 ± 0.2

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
RUN711 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-d4864bdc-3_1 molecule 2.4 ± 0.3 work distributions bootstrapping convergence
Last updated 2022-01-12T19:42:11.201232+00:00
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