Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03645"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"Phosphonoacetohydroxamic Acid"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the organic phosphonic acids. These are organic compounds containing phosphonic acid.
Organic Phosphonic Acids
Organic Compounds
Organophosphorus Compounds
Organic Phosphonic Acids and Derivatives
Organic Phosphonic Acids
Hydroxamic Acids
Polyamines
Enolates
carboxamide group
hydroxamic acid
carboxylic acid derivative
polyamine
enolate
amine
organonitrogen compound
logP
-1.3
ALOGPS
logS
-0.91
ALOGPS
Water Solubility
1.90e+01 g/l
ALOGPS
logP
-2.5
ChemAxon
IUPAC Name
[(hydroxycarbamoyl)methyl]phosphonic acid
ChemAxon
Traditional IUPAC Name
(hydroxycarbamoyl)methylphosphonic acid
ChemAxon
Molecular Weight
155.0465
ChemAxon
Monoisotopic Weight
154.998358819
ChemAxon
SMILES
ONC(=O)CP(O)(O)=O
ChemAxon
Molecular Formula
C2H6NO5P
ChemAxon
InChI
InChI=1S/C2H6NO5P/c4-2(3-5)1-9(6,7)8/h5H,1H2,(H,3,4)(H2,6,7,8)
ChemAxon
InChIKey
InChIKey=LDKRAXXVBWHMRH-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
106.86
ChemAxon
Refractivity
27.22
ChemAxon
Polarizability
11
ChemAxon
Rotatable Bond Count
2
ChemAxon
H Bond Acceptor Count
5
ChemAxon
H Bond Donor Count
4
ChemAxon
pKa (strongest acidic)
1.66
ChemAxon
pKa (strongest basic)
-5.5
ChemAxon
Physiological Charge
-1
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
ChEBI
44692
PubChem Compound
445375
PubChem Substance
46507225
PDB
PAH
BE0004460
Beta-enolase
Human
# Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17139284
# Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17016423
# Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/10592235
unknown
Beta-enolase
ENO3
Human
UniProtKB
P13929
UniProt Accession
ENOB_HUMAN
"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object