Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB01674"
| Predicate | Value (sorted: none) |
|---|---|
| rdfs:label |
"[2-(1-Amino-2-Hydroxy-Propyl)-4-(4-Fluoro-1h-Indol-3-Ylmethyl)-5-Hydroxy-Imidazol-1-Yl]-Acetic Acid"
|
| owl:sameAs | |
| rdf:type | |
| ns1:description |
"
experimental
logP
-0.55
ALOGPS
logS
-3.1
ALOGPS
Water Solubility
3.16e-01 g/l
ALOGPS
logP
-1.9
ChemAxon
IUPAC Name
2-{2-[(1S,2R)-1-amino-2-hydroxypropyl]-4-[(4-fluoroindol-3-yl)methyl]-5-hydroxy-1H-imidazol-1-yl}acetic acid
ChemAxon
Traditional IUPAC Name
{2-[(1S,2R)-1-amino-2-hydroxypropyl]-4-[(4-fluoroindol-3-yl)methyl]-5-hydroxyimidazol-1-yl}acetic acid
ChemAxon
Molecular Weight
361.3476
ChemAxon
Monoisotopic Weight
361.131208289
ChemAxon
SMILES
C[C@@H](O)[C@@H](N)C1=NC(Cc2cnc3cccc(F)c23)=C(O)N1CC(O)=O
ChemAxon
Molecular Formula
C17H18FN4O4
ChemAxon
Polar Surface Area (PSA)
134.49
ChemAxon
Refractivity
88.59
ChemAxon
Polarizability
34.95
ChemAxon
Rotatable Bond Count
6
ChemAxon
H Bond Acceptor Count
7
ChemAxon
H Bond Donor Count
4
ChemAxon
pKa (strongest acidic)
2.98
ChemAxon
pKa (strongest basic)
7.61
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
3
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
MDDR-Like Rule
true
ChemAxon
PubChem Compound
46936186
PubChem Substance
46507810
PDB
4F3
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource does not appear as an object