MIC-UNK-5a93dd5f-3

molecule

Data

Compound ID MIC-UNK-5a93dd5f-3
ΔG / kcal M-1 −8.35 ± 0.08
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN1189 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-3_1 molecule −1.9 ± 0.1 work distributions convergence plot
RUN1187 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-3_10 molecule −1.3 ± 0.2 work distributions convergence plot
RUN1190 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-3_14 molecule −1.2 ± 0.2 work distributions convergence plot
RUN1194 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-3_12 molecule −1.1 ± 0.2 work distributions convergence plot
RUN1169 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-3_6 molecule −1.0 ± 0.2 work distributions convergence plot
RUN1195 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-3_11 molecule −0.5 ± 0.2 work distributions convergence plot
RUN1188 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-3_3 molecule −0.5 ± 0.2 work distributions convergence plot
RUN1184 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-3_7 molecule 0.3 ± 0.3 work distributions convergence plot
RUN1186 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-3_9 molecule 0.3 ± 0.1 work distributions convergence plot
RUN1201 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-3_13 molecule 0.5 ± 0.2 work distributions convergence plot
RUN1175 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-3_2 molecule 0.7 ± 0.2 work distributions convergence plot
RUN1174 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-3_5 molecule 1.0 ± 0.1 work distributions convergence plot
RUN1200 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-3_15 molecule 1.6 ± 0.2 work distributions convergence plot
RUN1177 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-3_8 molecule 1.7 ± 0.2 work distributions convergence plot
RUN1170 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-3_4 molecule 2.9 ± 0.2 work distributions convergence plot
RUN1197 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-3_16 molecule 3.1 ± 0.2 work distributions convergence plot
Last updated 2021-11-12T06:11:06.748777+00:00
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