MIC-UNK-d36ab305-4

molecule

Data

Compound ID MIC-UNK-d36ab305-4
ΔG / kcal M-1 −9.1 ± 0.2
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN1043 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-d36ab305-4_2 molecule −1.9 ± 0.2 work distributions convergence plot
RUN1042 ADA-UCB-6c2cb422-1_1 molecule MIC-UNK-d36ab305-4_1 molecule 2.1 ± 0.2 work distributions convergence plot
Last updated 2021-11-12T06:11:06.748777+00:00
Generated by fah-xchem version pre-sprint-5+114.gd1dd4c5