Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03043"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"(S)-2-Amino-3-(6h-Selenolo[2,3-B]-Pyrrol-4-Yl)-Propionic Acid"
|
| rdf:type | |
| drugbank:description |
"
experimental
logP
-1.8
ALOGPS
logS
-1.1
ALOGPS
Water Solubility
2.13e+01 g/l
ALOGPS
logP
-2.4
ChemAxon
IUPAC Name
(2S)-2-amino-3-{selenopheno[2,3-b]pyrrol-4-yl}propanoic acid
ChemAxon
Traditional IUPAC Name
(2S)-2-amino-3-{selenopheno[2,3-b]pyrrol-4-yl}propanoic acid
ChemAxon
Molecular Weight
256.14
ChemAxon
Monoisotopic Weight
256.98292437
ChemAxon
SMILES
N[C@@H](Cc1cnc2[se]ccc12)C(O)=O
ChemAxon
Molecular Formula
C9H9N2O2Se
ChemAxon
InChI
InChI=1S/C9H9N2O2Se/c10-7(9(12)13)3-5-4-11-8-6(5)1-2-14-8/h1-2,4,7H,3,10H2,(H,12,13)/t7-/m0/s1
ChemAxon
InChIKey
InChIKey=OZPCKKMUHGHNDE-ZETCQYMHSA-N
ChemAxon
Polar Surface Area (PSA)
76.21
ChemAxon
Refractivity
59.27
ChemAxon
Polarizability
19.94
ChemAxon
Rotatable Bond Count
3
ChemAxon
H Bond Acceptor Count
4
ChemAxon
H Bond Donor Count
2
ChemAxon
pKa (strongest acidic)
0.57
ChemAxon
pKa (strongest basic)
9.3
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
15480321
PubChem Substance
46509111
PDB
23S
"
|
| 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