Logarithm of intrinsic aqueous solubility in µM for neutral compounds. Real-time, fast monitoring of file scans With SpaceSniffer, you get a good idea about how space is distributed in your Microsoft Windows PC. Used to describe the relationship between lipophilicity and hydrophilicity of a neutral compound. Logarithm of n-octanol-water partition coefficient. Used to describe the relationship between lipophilicity and hydrophilicity of an ionized compound. Logarithm of n-octanol-water partition coefficient (also known as n-octanol-water partition ratio) at fixed physiological pH 7.4. The longer your ball stays in, the more points you can get Why you’ll love SpacePinball: - Simple classic design like how we all played back in the day. Prediction of pIC 50 values for inhibition of human Ether-a-go-go Related Gene (hERG) potassium channels expressed in mammalian cells. Use your flippers to send the ball flying and rack up as many points as possible Your goal is to not let the ball get past your flippers and try and last as long as possible. Compounds are predicted to be in one of four categories: ‘low’ for compounds with a pK i7.Ĭlassification of compounds into ‘+’-category if log(:)≥-0.5 and ‘-’category if log(:)90% bound. Spacie download download#To download the app, click on the bottom Cricut Design Space Download. Spacie download for mac#Affinity prediction of the compound to bind at the enzyme involved in several metabolic drug pathways.Ĭytochrome P450 CYP2D6 classification. Cricut Design Space app download is also available as a free download for Mac and PC. With this you can easily tailor your filters for particular compound features andįurthermore, infiniSee supports the Optribrium expansion to predict a variety of important ADME parameters for further compound assessment:Ĭytochrome P450 CYP2C9 pK i prediction. You can also calculcate and filter for following numbers: odd torsions, heavy atoms, (aromatic) rings, aromatic atoms, nitrogen and oxygen atoms, halogens, stereo centers, stereo bonds, and rotatble bonds. InfiniSee can calculate and predict following parameters of a molecule that can be further used for filtering steps and compound assessment: HYDE-based (Lipophilic) ligand efficacy (LE/LLE), molecular weight, logP, total polar surface area (TPSA) of a compound, H-bonds, H-bond acceptors and donators, heavy atoms, aromatic rings, maximum ring size, total charge, and presence of covalent warheads.
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