PET-UNK-6af7266d-3

molecule

Metadata

Compound ID PET-UNK-6af7266d-3

Computed quantities

ΔG / kcal M-1 −11.4 ± 0.1
pIC50 8.29 ± 0.09

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
RUN806 VLA-UCB-50c39ae8-2_1 molecule PET-UNK-6af7266d-3_1 molecule −2.3 ± 0.1 work distributions bootstrapping convergence
Last updated 2022-01-12T19:42:11.201232+00:00
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