EDJ-MED-7d88f880-3

molecule

Metadata

Compound ID EDJ-MED-7d88f880-3

Computed quantities

ΔG / kcal M-1 −10.0 ± 0.3
pIC50 7.3 ± 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
RUN639 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-7d88f880-3_1 molecule −1.0 ± 0.5 work distributions bootstrapping convergence
RUN643 VLA-UCB-50c39ae8-2_1 molecule EDJ-MED-7d88f880-3_2 molecule −0.8 ± 0.4 work distributions bootstrapping convergence
Last updated 2022-01-14T10:48:11.728371+00:00
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