Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02035"
| Predicate | Value (sorted: none) |
|---|---|
| rdf:type | |
| rdfs:label |
"1-Hexadecylsulfonyl Fluoride"
|
| owl:sameAs | |
| drugbank:description |
"
experimental
This compound belongs to the sulfonyl fluorides. These are compounds containing a sulfonyl (R-S(=O)2-R') functional group singly bonded to a fluorine atom.
Sulfonyl Fluorides
Organic Compounds
Organic Halides
Sulfonyl Halides
Sulfonyl Fluorides
Sulfonyls
Polyamines
polyamine
logP
7.07
ALOGPS
logS
-6
ALOGPS
Water Solubility
3.16e-04 g/l
ALOGPS
logP
6.33
ChemAxon
IUPAC Name
hexadecane-1-sulfonyl fluoride
ChemAxon
Traditional IUPAC Name
hexadecane-1-sulfonyl fluoride
ChemAxon
Molecular Weight
308.495
ChemAxon
Monoisotopic Weight
308.218529195
ChemAxon
SMILES
CCCCCCCCCCCCCCCCS(F)(=O)=O
ChemAxon
Molecular Formula
C16H33FO2S
ChemAxon
InChI
InChI=1S/C16H33FO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19/h2-16H2,1H3
ChemAxon
InChIKey
InChIKey=QIVFMUVBIHIZAM-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
34.14
ChemAxon
Refractivity
84.68
ChemAxon
Polarizability
38.22
ChemAxon
Rotatable Bond Count
15
ChemAxon
H Bond Acceptor Count
2
ChemAxon
H Bond Donor Count
0
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
0
ChemAxon
ChEBI
32911
PubChem Compound
3572
PubChem Substance
46507026
ChemSpider
3448
PDB
HSF
BE0004538
Palmitoyl-protein thioesterase 1
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
Palmitoyl-protein thioesterase 1
PPT1
Human
UniProtKB
P50897
UniProt Accession
PPT1_HUMAN
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object