Exact(1)
Membrane permeability and bioavailability are always associated with some basic molecular descriptors such as log P (partition coefficient), molecular weight (MW), or hydrogen bond acceptors and donors counts in a molecule.
Similar(59)
Hydrogen Bond Donor Count Number of atoms acting as hydrogen bond donors.
and 'hasChemicalDescriptor' some ('hydrogen bond donor count' and 'has value' some int[< 5]).
some ('hydrogen bond donor count' that 'has value' some int[<=5]).
It was developed from the PLS method with descriptors including the SsCH3E-index, H-Donor Count, T_2_Cl_3, and negative correlation with SsOHcount.
Molecular descriptors including ClogP, ACDlogD7.4, polar surface area (PSA), molecular weight (MW), hydrogen bond donor count (HBD), and ACDpKa were calculated and used to generate the CNS PET multiparameter optimization (MPO) score [10].
Listing 3. A sample SPARQL query to determine the value (specified by the ?value variable) of the hydrogen bond donor count descriptor for a molecule specified in the given (lipinski_test) RDF graph, submitted to a SHARE client [28].
According to Model-1 by MLR anticancer activity of quinazoline derivatives were influenced by individual (H-donor count, and XlogP) and alignment independent descriptor (T_C_Br_1, T_2_O_1 and T_2_N_7) help in understanding the effect of substituent at different position of quinazolines.
Frequency (blue) and percent cumulative frequency (red) of respective feature atom count for the 734,486 molecules tested in at least one bioassay archived in the PubChem BioAssay database: (a) hydrogen-bond donor count, (b) hydrogen-bond acceptor count, (c) anion count, (d) cation count, (e) hydrophobe count, and (f) ring count.
(for some reason it only shows the very newest donor count, always 1).
From the third field, drug-likeness properties (e.g. H bond donor count, polar surface area, etc).
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