Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02846"
| Predicate | Value (sorted: none) |
|---|---|
| drugbank:description |
"
2756-91-4
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
Thiazolidines
Hemiaminals
Thioethers
Polyamines
Enolates
Dialkylamines
Carboxylic Acids
Aminals
thiazolidine
hemiaminal
secondary amine
secondary aliphatic amine
carboxylic acid
enolate
aminal
polyamine
thioether
amine
organonitrogen compound
logP
-2.5
ALOGPS
logS
-0.2
ALOGPS
Water Solubility
8.40e+01 g/l
ALOGPS
logP
-2.7
ChemAxon
IUPAC Name
(4S)-1,3-thiazolidine-4-carboxylic acid
ChemAxon
Traditional IUPAC Name
thioproline
ChemAxon
Molecular Weight
133.169
ChemAxon
Monoisotopic Weight
133.019749163
ChemAxon
SMILES
OC(=O)[C@H]1CSCN1
ChemAxon
Molecular Formula
C4H7NO2S
ChemAxon
InChI
InChI=1S/C4H7NO2S/c6-4(7)3-1-8-2-5-3/h3,5H,1-2H2,(H,6,7)/t3-/m1/s1
ChemAxon
InChIKey
InChIKey=DZLNHFMRPBPULJ-GSVOUGTGSA-N
ChemAxon
Polar Surface Area (PSA)
49.33
ChemAxon
Refractivity
30.82
ChemAxon
Polarizability
12.25
ChemAxon
Rotatable Bond Count
1
ChemAxon
H Bond Acceptor Count
3
ChemAxon
H Bond Donor Count
2
ChemAxon
pKa (strongest acidic)
2.59
ChemAxon
pKa (strongest basic)
7.7
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
198253
PubChem Substance
46508931
PDB
PRS
BE0004149
Annexin A5
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
Annexin A5
ANXA5
Human
UniProtKB
P08758
UniProt Accession
ANXA5_HUMAN
"
|
| owl:sameAs | |
| rdf:type | |
| rdfs:label |
"Thioproline"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object