Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02542"
| Predicate | Value (sorted: none) |
|---|---|
| drugbank:description |
"
experimental
This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
Alpha Amino Acids and Derivatives
Organic Compounds
Organic Acids and Derivatives
Carboxylic Acids and Derivatives
Amino Acids, Peptides, and Analogues
Amino Fatty Acids
Polyamines
Carboxylic Acids
Enolates
Monoalkylamines
Organofluorides
Alkyl Fluorides
polyamine
enolate
carboxylic acid
organonitrogen compound
amine
primary amine
organofluoride
organohalogen
primary aliphatic amine
alkyl halide
alkyl fluoride
logP
-2.4
ALOGPS
logS
-0.38
ALOGPS
Water Solubility
6.20e+01 g/l
ALOGPS
logP
-2.1
ChemAxon
IUPAC Name
(2S,4S)-2-amino-5-fluoro-4-methylpentanoic acid
ChemAxon
Traditional IUPAC Name
(4s)-5-fluoro-L-leucine
ChemAxon
Molecular Weight
149.1634
ChemAxon
Monoisotopic Weight
149.085206838
ChemAxon
SMILES
C[C@H](CF)C[C@H](N)C(O)=O
ChemAxon
Molecular Formula
C6H12FNO2
ChemAxon
InChI
InChI=1S/C6H12FNO2/c1-4(3-7)2-5(8)6(9)10/h4-5H,2-3,8H2,1H3,(H,9,10)/t4-,5-/m0/s1
ChemAxon
InChIKey
InChIKey=FHOARJRQRXAPOF-WHFBIAKZSA-N
ChemAxon
Polar Surface Area (PSA)
63.32
ChemAxon
Refractivity
34.33
ChemAxon
Polarizability
14.42
ChemAxon
Rotatable Bond Count
4
ChemAxon
H Bond Acceptor Count
3
ChemAxon
H Bond Donor Count
2
ChemAxon
pKa (strongest acidic)
2.52
ChemAxon
pKa (strongest basic)
9.52
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
15227560
PubChem Substance
46506320
ChemSpider
3674682
PDB
LEF
BE0004560
Polyubiquitin-B
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
Polyubiquitin-B
UBB
Human
UniProtKB
P0CG47
UniProt Accession
UBB_HUMAN
"
|
| rdfs:label |
"(4s)-5-Fluoro-L-Leucine"
|
| rdf:type | |
| 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