PET-UNK-6af7266d-3

molecule

Metadata

Compound ID PET-UNK-6af7266d-3

Computed quantities

ΔG / kcal M-1 −9.1 ± 0.2
pIC50 6.6 ± 0.1

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
RUN466 VLA-UCB-50c39ae8-2_1 molecule PET-UNK-6af7266d-3_1 molecule −0.1 ± 0.2 work distributions bootstrapping convergence
Last updated 2022-01-09T19:15:25.278189+00:00
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