Slot: pKa ionization constant (pka_ionization_constant)
The negative logarithm of the acid dissociation constant (Ka) for ionizable groups in a molecule. Multiple pKa values may exist for molecules with multiple ionizable groups.
URI: chemrof:pka_ionization_constant Alias: pka_ionization_constant
Inheritance
- chemical_property
- molecular_property
- pka_ionization_constant
- molecular_property
Applicable Classes
| Name | Description | Modifies Slot |
|---|---|---|
| MonoatomicIon | An atom type that has a charge | no |
| MolecularComponent | A proper part of a molecule that is larger than an atom | no |
| Homopolymer | a polymer with a single type of repeating unit | no |
| PolymerPart | no | |
| NucleotideSequenceInterval | no | |
| SequenceInterval | a chain of connected monomers in a linear polymer - for example, a sub-region... | no |
| PolyatomicIon | A molecule that has a net charge | no |
| FunctionalGroup | no | |
| SupramolecularPolymer | polymeric arrays of monomeric units that are connected by reversible and high... | no |
| Atom | A chemical entity consisting of exactly one atomic nucleus and the electron(s... | no |
| ChemicalElement | generic form of an atom, with unspecified neutron or charge | no |
| AtomAnion | A monoatomic ion that is negative | no |
| UnchargedAtom | An atom type that has no charge | no |
| Stereoisomer | no | |
| MolecularComplex | A molecular complex is a chemical complex composed of at least one weakly int... | no |
| ChemicalGroup | no | |
| MonomolecularPolymer | A macromolecule composed of repeating subunits | no |
| ChemicalEntity | A discrete structure that is one or more atoms that can be described by a che... | no |
| PolyatomicEntity | Any chemical entity consisting of more than one atom | no |
| Glycan | A macromolecule consisting of a large number of monosaccharides linked glycos... | no |
| NetUnchargedMolecule | A molecule that has no net charge | no |
| ChemicalSalt | a chemical compound consisting of an ionic assembly of cations and anions | no |
| Zwitterion | A molecule that has both a positive and negative charges but is net neutral | no |
| RNASequenceInterval | no | |
| Radionuclide | an atom that has excess nuclear energy, making it unstable | no |
| AtomIonicForm | an atom type in which only charge state is specified, designated by the eleme... | no |
| AminoAcidSequenceInterval | no | |
| MolecularSubsequence | no | |
| Protein | A macromolecule composed of one or more polypeptide chains of amino acids tha... | no |
| SmallMolecule | A molecule characterized by availability in small-molecule databases | no |
| ChemicalMixture | A polyatomic entity that consists of two or more parts that are weakly bound,... | no |
| Enantiomer | one of two stereoisomers of a chiral molecule that are mirror images | no |
| NonSpeciesMolecule | A molecule in which the units are not identical | no |
| NaturalProduct | no | |
| DNASequenceInterval | no | |
| Nuclide | an atomic species characterized by the specific constitution of its nucleus | no |
| Peptide | no | |
| Molecule | A chemical entity that consists of two or more atoms where all atoms are conn... | no |
| AtomCation | A monoatomic ion that is positive, e | no |
| PreciseChemicalMixture | A polyatomic entity that consists of two or more parts that are weakly bound,... | no |
| PartiallySpecifiedAtom | An atom type that only has a subset of properties (has atomic number, charge,... | no |
| Isotope | A specific subtype of an atom with a specified neutron number | no |
| Monomer | no | |
| MolecularAnion | A polyatomic ion that is negative | no |
| RacemicMixture | a chemical compound that has equal amounts of left- and right-handed enantiom... | no |
| ImpreciseChemicalMixture | A macroscopic polyatomic entity that consists of multiple chemical entities w... | no |
| Moiety | a named part of a molecule | no |
| Macromolecule | A large molecule, such as a polymer, lipid, or macrocycle | no |
| Copolymer | a polymer with a more than one type of repeating unit | no |
| MoleculeByChargeState | A molecule that has a charge state specified | no |
| MolecularCation | A polyatomic ion that is positive | no |
| Allotrope | A molecule consisting of atoms of the same element | no |
| Isobar | Isobars are atoms (nuclides) of different chemical elements that have the sam... | no |
| Ester | An ester is a chemical compound derived from an acid (organic or inorganic) i... | no |
| MolecularSpecies | A molecule in which the units are identical | no |
| FullySpecifiedAtom | An atom type that has atomic number, charge, and neutron number stated (equiv... | no |
| NeutralMolecule | A molecule that has no net charge and is not a zwitterion | no |
Properties
-
Range: Float
-
Multivalued: True
Comments
- Lower pKa values indicate stronger acids
- For molecules with multiple ionizable groups, this field can contain multiple values
- Standard conditions: aqueous solution at 25°C
Identifier and Mapping Information
Schema Source
- from schema: https://w3id.org/chemrof
Mappings
| Mapping Type | Mapped Value |
|---|---|
| self | chemrof:pka_ionization_constant |
| native | chemrof:pka_ionization_constant |
LinkML Source
name: pka_ionization_constant
description: The negative logarithm of the acid dissociation constant (Ka) for ionizable
groups in a molecule. Multiple pKa values may exist for molecules with multiple
ionizable groups.
title: pKa ionization constant
comments:
- Lower pKa values indicate stronger acids
- For molecules with multiple ionizable groups, this field can contain multiple values
- 'Standard conditions: aqueous solution at 25°C'
from_schema: https://w3id.org/chemrof
rank: 1000
is_a: molecular_property
alias: pka_ionization_constant
domain_of:
- ChemicalEntity
range: float
multivalued: true