BioSolvetIT infiniSee 5.1.0 instal the last version for windows

Open the System setting in the top right and select 'License'.You can either send us the complete Systemlog (copy and paste it into an email) or reduce the copied content to the HostID(s).

You find the Host-IDs when you scroll all the way down, and search for the line 'Host-ID' a few lines above.Open the System settings in the top right and choose “Systemlog”.There are several options to determine the Host-ID: Systemlog In case of a server license, we need the Host-ID of the server machine. To generate your license, we need the Host-ID of the machine on which the software shall run. Logarithm of intrinsic aqueous solubility at physiological pH 7.4 in µM for ionized compounds. Logarithm of intrinsic aqueous solubility in µM for neutral compounds. 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. Prediction of pIC 50 values for inhibition of human Ether-a-go-go Related Gene (hERG) potassium channels expressed in mammalian cells. 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. Affinity prediction of the compound to bind at the enzyme involved in several metabolic drug pathways.Ĭytochrome P450 CYP2D6 classification. 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.

BioSolvetIT infiniSee 5.1.0 instal the last version for windows