Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03260"
| Predicate | Value (sorted: none) |
|---|---|
| owl:sameAs | |
| rdfs:label |
"1,6-Diaminohexane"
|
| rdf:type | |
| 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
Monoalkylamines
primary aliphatic amine
primary amine
logP
0.27
ALOGPS
logS
-0.7
ALOGPS
Water Solubility
2.34e+01 g/l
ALOGPS
logP
0.044
ChemAxon
IUPAC Name
hexane-1,6-diamine
ChemAxon
Traditional IUPAC Name
1,6-diaminohexane
ChemAxon
Molecular Weight
116.2046
ChemAxon
Monoisotopic Weight
116.131348522
ChemAxon
SMILES
NCCCCCCN
ChemAxon
Molecular Formula
C6H16N2
ChemAxon
InChI
InChI=1S/C6H16N2/c7-5-3-1-2-4-6-8/h1-8H2
ChemAxon
InChIKey
InChIKey=NAQMVNRVTILPCV-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
52.04
ChemAxon
Refractivity
36.58
ChemAxon
Polarizability
15.18
ChemAxon
Rotatable Bond Count
5
ChemAxon
H Bond Acceptor Count
2
ChemAxon
H Bond Donor Count
2
ChemAxon
pKa (strongest basic)
10.51
ChemAxon
Physiological Charge
2
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
ChEBI
39618
PubChem Compound
16402
PubChem Substance
46507769
PDB
16D
BE0003044
Agmatinase, putative
Deinococcus radiodurans (strain ATCC 13939 / DSM 20539 / JCM 16871 / LMG 4051 / NBRC 15346 / NCIMB 9279 / R1 / VKM B-1422)
unknown
Agmatinase, putative
Involved in hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in linear amidines
DR_A0149
None
5.13
32523.0
Deinococcus radiodurans (strain ATCC 13939 / DSM 20539 / JCM 16871 / LMG 4051 / NBRC 15346 / NCIMB 9279 / R1 / VKM B-1422)
GenBank Gene Database
AE001825
UniProtKB
Q9RZ04
UniProt Accession
Q9RZ04_DEIRA
>Agmatinase, putative
MSGPAHLPYGGIPTFARAPLVQPDGDWQADVAALGVPFDIALGFRPGARFAPRALREASL
RSVPPFTGLDGKTRLQGVTFADAGDVILPSLEPQLAHDRITEAARQVRGRCRVPVFLGGD
HSVSYPLLRAFADVPDLHVVQLDAHLDFTDTRNDTKWSNSSPFRRACEALPNLVHITTVG
LRGLRFDPEAVAAARARGHTIIPMDDVTADLAGVLAQLPRGQNVYFSVDVDGFDPAVIPG
TSSPEPDGLTYAQGMKILAAAAANNTVVGLDLVELAPNLDPTGRSELLMARLVMETLCEV
FDHV
>915 bp
TCAGACATGGTCGAACACCTCGCACAGCGTCTCCATCACCAGCCGCGCCATTAGCAGTTC
GCTGCGGCCCGTCGGGTCGAGGTTGGGGGCGAGTTCGACCAAATCGAGGCCCACCACCGT
ATTATTCGCCGCCGCTGCCGCCAGAATCTTCATGCCCTGCGCGTAGGTCAGGCCGTCGGG
CTCGGGGCTGGACGTGCCGGGAATCACGGCGGGGTCGAAGCCGTCCACGTCCACCGAGAA
ATACACGTTCTGGCCGCGTGGCAGCTGGGCCAGCACGCCCGCGAGGTCGGCGGTCACGTC
GTCCATCGGAATGATTGTGTGGCCCCGCGCCCGCGCCGCCGCCACCGCCTCCGGGTCGAA
GCGCAGCCCGCGCAGGCCGACGGTGGTGATGTGGACGAGGTTGGGCAGGGCTTCGCAGGC
GCGGCGAAAGGGGCTGGAGTTGCTCCATTTCGTGTCGTTGCGGGTGTCGGTGAAGTCGAG
GTGCGCGTCGAGCTGCACGACGTGAAGGTCGGGCACGTCGGCAAAAGCGCGCAGCAGCGG
ATAACTCACCGAGTGGTCGCCGCCGAGAAACACCGGCACCCGGCAGCGCCCCCGCACCTG
CCGCGCCGCCTCGGTGATGCGGTCGTGGGCGAGTTGGGGTTCAAGCGAGGGCAAAATCAC
GTCGCCCGCATCGGCAAAAGTCACGCCCTGCAAGCGGGTTTTGCCGTCCAGACCGGTGAA
GGGGGGCACGCTGCGCAGACTCGCCTCCCGCAGCGCACGCGGGGCGAAACGGGCGCCGGG
GCGAAAGCCGAGGGCGATGTCGAAGGGGACGCCGAGGGCGGCCACGTCCGCCTGCCAGTC
GCCGTCCGGTTGCACCAGCGGGGCGCGGGCGAAGGTCGGAATGCCGCCGTAGGGCAGGTG
GGCCGGCCCGCTCAT
PF00491
Arginase
function
catalytic activity
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object