2021-12-06 2021-12-06 NuBBE Copyright © 2022 NuBBE nubbe nubbe/ The NuBBE biochemical knowledge graph vocabulary. NuBBE: The NuBBE DB Ontology SNAPSHOT 2021-12-06 The value of the mapping. biological activity 2021-12-06 The logP value of a compound, which is the logarithm of its partition coefficient between n-octanol and water log(c_octanol/c_water). logP coeficient 2021-12-06 The NUBBE unique identifier code of the Chemical Compound. code 2021-12-06 The name of the site where the sample was collected. collection site 2021-12-06 The name living specie where the molecule is reported to be found. collection specie 2021-12-06 The type of the collection. collection type 2021-12-06 The doi of the document from which the information was extracted. doi 2021-12-06 The mass of the molecule. molecular mass 2021-12-06 The volume occupied by one mole of it at a given temperature and pressure. molecular volume 2021-12-06 The monoisotropic mass of the molecule. monoisotropic mass 2021-12-06 The value (numerical or not) of a mesurement. number of H-bond acceptors 2021-12-06 The value (numerical or not) of a mesurement. number of H-bond donors 2021-12-06 Number of violations of Lipinski's rule of five, also known as Pfizer's rule of five or simply the rule of five (RO5), is a rule of thumb to evaluate druglikeness or determine if a chemical compound with a certain pharmacological or biological activity has chemical properties and physical properties that would make it a likely orally active drug in humans. number of Lipiski violations 2021-12-06 A rotatable bond is defined as any single non-ring bond, attached to a non-terminal, non-hydrogen atom. number of rotable bonds 2021-12-06 The SMILE representation of the Chemical Compound. smile 2021-12-06 The topological polar surface area (TPSA) of a molecule is defined as the surface sum over all polar atoms or molecules, primarily oxygen and nitrogen, also including their attached hydrogen atoms. topological polar surface area (TPSA) 2021-12-07 A Acridine Alkaloid Or Acridone. Acridine Alkaloid Or Acridone 2021-12-07 A Alkaloids. Alkaloids 2021-12-07 A Aminoacid. Aminoacid 2021-12-07 A Aminoacid or Peptide. Aminoacid or Peptide 2021-12-07 A Anthocyanidin. Anthocyanidin 2021-12-07 A Aromatic Acid. Aromatic Acid 2021-12-07 A Aromatic Derivative. Aromatic Derivative 2021-12-07 A Aromatic Polyketide. Aromatic Polyketide 2021-12-07 A Benzofuranoid. Benzofuranoid 2021-12-07 A Benzophenone Derivative. Benzophenone Derivative 2021-12-07 A Biflavonoid. Biflavonoid 2021-12-07 A Carbohydrate. Carbohydrate 2021-12-07 A Chalcones. Chalcones 2021-12-07 A Chemical Compound. Chemical Compound 2021-12-07 A Chemical Substance. Chemical Substance 2021-12-07 A Chromane. Chromane 2021-12-07 A Chromanone. Chromanone 2021-12-07 A Chromene. Chromene 2021-12-07 A Chromone. Chromone 2021-12-07 A Coumarin. Coumarin 2021-12-07 A Diterpenoid. Diterpenoid 2021-12-07 A Flavanol. Flavanol 2021-12-07 A Flavanone. Flavanone 2021-12-07 A Flavone. Flavone 2021-12-07 A Flavonoid. Flavonoid 2021-12-07 A Flavonol. Flavonol 2021-12-07 A Hemiterpenoid. Hemiterpenoid 2021-12-07 A Hydrolysable Tannin. Hydrolysable Tannin 2021-12-07 A Imidazole Alkaloid. Imidazole Alkaloid 2021-12-07 A Indole Alkaloid. Indole Alkaloid 2021-12-07 A Iridoid. Iridoid 2021-12-07 A Isoflavonoid. Isoflavonoid 2021-12-07 A Lignoid. Lignoid 2021-12-07 A Linear Polyketide. Linear Polyketide 2021-12-07 A Lipid. Lipid 2021-12-07 A Meroterpenoid. Meroterpenoid 2021-12-07 A Monoterpenoid. Monoterpenoid 2021-12-07 A Peptide. Peptide 2021-12-07 A Phenylpropanoids. Phenylpropanoids 2021-12-07 A Piperidine Alkaloid. Piperidine Alkaloid 2021-12-07 A Polyketides. Polyketides 2021-12-07 A Pyridine Alkaloid. Pyridine Alkaloid 2021-12-07 A Pyrrolidine Alkaloid. Pyrrolidine Alkaloid 2021-12-07 A Quinazoline Alkaloid. Quinazoline Alkaloid 2021-12-07 A Quinoline Alkaloid. Quinoline Alkaloid 2021-12-07 A Quinolizidine Alkaloid. Quinolizidine Alkaloid 2021-12-07 A Sesquiterpenoid. Sesquiterpenoid 2021-12-07 A Steroids. Steroids 2021-12-07 A Stilbene. Stilbene 2021-12-07 A Styryl Pyrone. Styryl Pyrone 2021-12-07 A Terpene. Terpene 2021-12-07 A Tetrahydroisoquinoline Alkaloid. Tetrahydroisoquinoline Alkaloid 2021-12-07 A Triterpenoid. Triterpenoid 2021-12-07 A Xanthone. Xanthone 2021-12-07 A Β-Lactam. Β-Lactam Edgard Marx Creative Commons Attribution No-Commercial No-Derives 4.0 International