PET-UNK-bbe8d7ff-1

molecule

Data

Compound ID PET-UNK-bbe8d7ff-1
ΔG / kcal M-1 −7.8 ± 0.2
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN147 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-bbe8d7ff-1_1 molecule −0.4 ± 0.2 work distributions convergence plot
Last updated 2021-11-12T06:17:11.317694+00:00
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