MAT-POS-50a80394-8

molecule

Metadata

Compound ID MAT-POS-50a80394-8

Computed quantities

ΔG / kcal M-1 −7.1 ± 0.6
pIC50 5.2 ± 0.5

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
RUN1341 VLA-UCB-50c39ae8-2_1 molecule MAT-POS-50a80394-8_2 molecule 1.7 ± 0.8 work distributions bootstrapping convergence
RUN1345 VLA-UCB-50c39ae8-2_1 molecule MAT-POS-50a80394-8_1 molecule 2.5 ± 0.7 work distributions bootstrapping convergence
Last updated 2022-01-08T06:45:59.526927+00:00
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