Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02528"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"Tetrazolyl Histidine"
|
| rdf:type | |
| drugbank:description |
"
experimental
logP
-0.99
ALOGPS
logS
-1.6
ALOGPS
Water Solubility
4.97e+00 g/l
ALOGPS
logP
-2.7
ChemAxon
IUPAC Name
(2R)-2-amino-3-[1-(1,2,3,4-tetrazol-5-yl)-1H-imidazol-4-yl]propanal
ChemAxon
Traditional IUPAC Name
tetrazolyl histidine
ChemAxon
Molecular Weight
206.1847
ChemAxon
Monoisotopic Weight
206.079032913
ChemAxon
SMILES
N[C@H](CC1=CN(C=N1)c1nnnn1)C=O
ChemAxon
Molecular Formula
C7H8N7O
ChemAxon
Polar Surface Area (PSA)
112.47
ChemAxon
Refractivity
65.58
ChemAxon
Polarizability
19.05
ChemAxon
Rotatable Bond Count
4
ChemAxon
H Bond Acceptor Count
7
ChemAxon
H Bond Donor Count
1
ChemAxon
pKa (strongest acidic)
15.95
ChemAxon
pKa (strongest basic)
7.45
ChemAxon
Physiological Charge
1
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
46936416
PubChem Substance
46505135
PDB
NZH
BE0004467
Myoglobin
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
Myoglobin
MB
Human
UniProtKB
P02144
UniProt Accession
MYG_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