MAT-POS-38eb6498-2

molecule

Metadata

Compound ID MAT-POS-38eb6498-2

Computed quantities

ΔG / kcal M-1 −9.1 ± 0.4
pIC50 6.6 ± 0.3

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
RUN1385 VLA-UCB-50c39ae8-2_1 molecule MAT-POS-38eb6498-2_2 molecule −0.1 ± 0.6 work distributions bootstrapping convergence
RUN1384 VLA-UCB-50c39ae8-2_1 molecule MAT-POS-38eb6498-2_1 molecule 0.0 ± 0.4 work distributions bootstrapping convergence
Last updated 2022-01-08T06:45:59.526927+00:00
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