MIC-UNK-5a93dd5f-3

molecule

Data

Compound ID MIC-UNK-5a93dd5f-3
ΔG / kcal M-1 −8.1 ± 0.1
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN1105 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-3_4 molecule −1.4 ± 0.2 work distributions convergence plot
RUN1131 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-3_9 molecule −1.1 ± 0.3 work distributions convergence plot
RUN1123 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-3_1 molecule −0.6 ± 0.3 work distributions convergence plot
RUN1139 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-3_15 molecule −0.1 ± 0.3 work distributions convergence plot
RUN1126 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-3_8 molecule −0.0 ± 0.2 work distributions convergence plot
RUN1115 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-3_3 molecule 0.2 ± 0.3 work distributions convergence plot
RUN1132 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-3_13 molecule 0.2 ± 0.2 work distributions convergence plot
RUN1129 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-3_11 molecule 0.4 ± 0.3 work distributions convergence plot
RUN1137 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-3_16 molecule 0.6 ± 0.2 work distributions convergence plot
RUN1120 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-3_2 molecule 1.0 ± 0.2 work distributions convergence plot
RUN1138 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-3_7 molecule 1.1 ± 0.3 work distributions convergence plot
RUN1103 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-3_5 molecule 1.5 ± 0.2 work distributions convergence plot
RUN1134 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-3_10 molecule 8.2 ± 0.2 work distributions convergence plot
RUN1124 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-3_6 molecule 8.5 ± 0.2 work distributions convergence plot
RUN1141 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-3_14 molecule 8.7 ± 0.2 work distributions convergence plot
RUN1136 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-5a93dd5f-3_12 molecule 9.7 ± 0.3 work distributions convergence plot
Last updated 2021-06-26T14:44:48.853124+00:00
Generated by fah-xchem version pre-sprint-5+76.g1ae3402.dirty