Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB01968"
| Predicate | Value (sorted: none) |
|---|---|
| rdf:type | |
| owl:sameAs | |
| drugbank:description |
"
experimental
This compound belongs to the polyamines. These are compounds containing more than one amine group.
Polyamines
Organic Compounds
Organonitrogen Compounds
Amines
Polyamines
Enols
Alkylthiols
logP
0.26
ALOGPS
logS
-0.63
ALOGPS
Water Solubility
1.77e+01 g/l
ALOGPS
logP
-0.27
ChemAxon
IUPAC Name
(E)-2-aminoethene-1-thiol
ChemAxon
Traditional IUPAC Name
2-thioethenamine
ChemAxon
Molecular Weight
75.133
ChemAxon
Monoisotopic Weight
75.014269855
ChemAxon
SMILES
N\C=C\S
ChemAxon
Molecular Formula
C2H5NS
ChemAxon
InChI
InChI=1S/C2H5NS/c3-1-2-4/h1-2,4H,3H2/b2-1+
ChemAxon
InChIKey
InChIKey=JLZMZFJVTNYDOT-OWOJBTEDSA-N
ChemAxon
Polar Surface Area (PSA)
26.02
ChemAxon
Refractivity
21.81
ChemAxon
Polarizability
7.73
ChemAxon
Rotatable Bond Count
0
ChemAxon
H Bond Acceptor Count
1
ChemAxon
H Bond Donor Count
2
ChemAxon
pKa (strongest acidic)
9.69
ChemAxon
pKa (strongest basic)
5.7
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
5806800
PubChem Substance
46505182
ChemSpider
2617384
PDB
TEE
BE0002667
Lantibiotic mersacidin
Bacillus sp. (strain HIL-Y85/54728)
unknown
Lantibiotic mersacidin
Kills a number of Gram-positive bacteria. Acts at the level of cell wall biosynthesis by interfering with bacterial peptidoglycan biosynthesis. Specifically inhibits the conversion of the lipid II intermediate into polymeric nascent glycan strands by transglycosylation. May interact with the peptidoglycan precursor rather than with the enzyme
mrsA
None
4.17
7228.0
Bacillus sp. (strain HIL-Y85/54728)
GenBank Gene Database
Z47559
UniProtKB
P43683
UniProt Accession
MRSA_BACSY
Lantibiotic mersacidin precursor
>Lantibiotic mersacidin
MSQEAIIRSWKDPFSRENSTQNPAGNPFSELKEAQMDKLVGAGDMEAACTFTLPGGGGVC
TLTSECIC
>207 bp
ATGAGTCAAGAAGCTATCATTCGTTCATGGAAAGATCCTTTTTCCCGTGAAAATTCTACA
CAAAATCCAGCTGGTAACCCATTCAGTGAGCTGAAAGAAGCACAAATGGATAAGTTAGTA
GGTGCGGGAGACATGGAAGCAGCATGTACTTTTACATTGCCTGGTGGCGGCGGTGTTTGT
ACTCTAACTTCTGAATGTATTTGTTAA
"
|
| rdfs:label |
"2-Thioethenamine"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object