MIC-UNK-5a93dd5f-1

molecule

Data

Compound ID MIC-UNK-5a93dd5f-1
ΔG / kcal M-1 −8.0 ± 0.2
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN353 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-1_2 molecule −1.6 ± 0.2 work distributions convergence plot
RUN358 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-1_3 molecule −0.2 ± 0.2 work distributions convergence plot
RUN360 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-1_5 molecule 0.1 ± 0.2 work distributions convergence plot
RUN350 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-1_1 molecule 0.2 ± 0.2 work distributions convergence plot
RUN357 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-1_6 molecule 1.9 ± 0.2 work distributions convergence plot
RUN354 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-1_4 molecule 9.0 ± 0.2 work distributions convergence plot
Last updated 2021-11-12T06:17:11.317694+00:00
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