MIC-UNK-5a93dd5f-3

molecule

Data

Compound ID MIC-UNK-5a93dd5f-3
ΔG / kcal M-1 −8.2 ± 0.2
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN396 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-3_11 molecule −0.7 ± 0.3 work distributions convergence plot
RUN389 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-3_3 molecule −0.5 ± 0.4 work distributions convergence plot
RUN390 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-3_1 molecule −0.0 ± 0.3 work distributions convergence plot
RUN402 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-3_13 molecule 0.3 ± 0.3 work distributions convergence plot
RUN387 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-3_9 molecule 0.4 ± 0.3 work distributions convergence plot
RUN375 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-3_5 molecule 1.1 ± 0.2 work distributions convergence plot
RUN378 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-3_8 molecule 1.6 ± 0.4 work distributions convergence plot
RUN385 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-3_7 molecule 1.7 ± 0.4 work distributions convergence plot
RUN391 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-3_14 molecule 1.7 ± 0.7 work distributions convergence plot
RUN395 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-3_12 molecule 1.8 ± 0.5 work distributions convergence plot
RUN376 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-3_2 molecule 1.9 ± 0.3 work distributions convergence plot
RUN401 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-3_15 molecule 2.5 ± 0.4 work distributions convergence plot
RUN388 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-3_10 molecule 2.7 ± 0.4 work distributions convergence plot
RUN371 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-3_4 molecule 2.9 ± 0.3 work distributions convergence plot
RUN370 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-3_6 molecule 3.2 ± 0.4 work distributions convergence plot
RUN398 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-3_16 molecule 3.4 ± 0.3 work distributions convergence plot
Last updated 2021-07-30T16:49:58.182980+00:00
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