PET-UNK-6af7266d-1

molecule

Metadata

Compound ID PET-UNK-6af7266d-1

Computed quantities

ΔG / kcal M-1 −11.1 ± 0.1
pIC50 8.11 ± 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
RUN805 VLA-UCB-50c39ae8-2_1 molecule PET-UNK-6af7266d-1_1 molecule −2.05 ± 0.09 work distributions bootstrapping convergence
Last updated 2022-01-14T23:27:52.194393+00:00
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