VLA-UNK-56836b69-2

molecule

Metadata

Compound ID VLA-UNK-56836b69-2

Computed quantities

ΔG / kcal M-1 −9.69 ± 0.09
pIC50 7.06 ± 0.07

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
RUN1007 VLA-UCB-50c39ae8-2_1 molecule VLA-UNK-56836b69-2_1 molecule −0.62 ± 0.09 work distributions bootstrapping convergence
Last updated 2022-01-08T06:45:59.526927+00:00
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