Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03513"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"(S)-2-Amino-3-(4h-Selenolo[3,2-B]-Pyrrol-6-Yl)-Propionic Acid"
|
| rdf:type | |
| ns1:description |
"
experimental
logP
-1.8
ALOGPS
logS
-1.1
ALOGPS
Water Solubility
2.12e+01 g/l
ALOGPS
logP
-2.4
ChemAxon
IUPAC Name
(2S)-2-amino-3-{selenopheno[3,2-b]pyrrol-6-yl}propanoic acid
ChemAxon
Traditional IUPAC Name
(2S)-2-amino-3-{selenopheno[3,2-b]pyrrol-6-yl}propanoic acid
ChemAxon
Molecular Weight
256.14
ChemAxon
Monoisotopic Weight
256.98292437
ChemAxon
SMILES
N[C@@H](Cc1cnc2cc[se]c12)C(O)=O
ChemAxon
Molecular Formula
C9H9N2O2Se
ChemAxon
InChI
InChI=1S/C9H9N2O2Se/c10-6(9(12)13)3-5-4-11-7-1-2-14-8(5)7/h1-2,4,6H,3,10H2,(H,12,13)/t6-/m0/s1
ChemAxon
InChIKey
InChIKey=APGIJMQOIHJFMC-LURJTMIESA-N
ChemAxon
Polar Surface Area (PSA)
76.21
ChemAxon
Refractivity
58.94
ChemAxon
Polarizability
19.9
ChemAxon
Rotatable Bond Count
3
ChemAxon
H Bond Acceptor Count
4
ChemAxon
H Bond Donor Count
2
ChemAxon
pKa (strongest acidic)
1.39
ChemAxon
pKa (strongest basic)
9.28
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
15480320
PubChem Substance
46508230
PDB
32S
"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource does not appear as an object