TRY-UNI-714a760b-18

molecule

Data

Compound ID TRY-UNI-714a760b-18
ΔG / kcal M-1 −5.75 ± 0.09
IC50 / µM TBD
pIC50 4.582036368084879

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN5 ADA-UCB-6c2cb422-1_1 molecule TRY-UNI-714a760b-18_2 molecule 2.2 ± 0.2 work distributions convergence plot
RUN1 ADA-UCB-6c2cb422-1_1 molecule TRY-UNI-714a760b-18_1 molecule 4.3 ± 0.3 work distributions convergence plot
Last updated 2021-07-29T00:38:39.498831+00:00
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