Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04236"
| Predicate | Value (sorted: none) |
|---|---|
| rdf:type | |
| owl:sameAs | |
| rdfs:label |
"2-Amino-3-(1h-Indol-3-Yl)-Propan-1-Ol"
|
| drugbank:description |
"
experimental
logP
0.75
ALOGPS
logS
-1.9
ALOGPS
Water Solubility
2.13e+00 g/l
ALOGPS
logP
0.59
ChemAxon
IUPAC Name
(2R)-2-amino-3-(indol-3-yl)propan-1-ol
ChemAxon
Traditional IUPAC Name
(2R)-2-amino-3-(indol-3-yl)propan-1-ol
ChemAxon
Molecular Weight
189.2337
ChemAxon
Monoisotopic Weight
189.102788048
ChemAxon
SMILES
N[C@@H](CO)Cc1cnc2ccccc12
ChemAxon
Molecular Formula
C11H13N2O
ChemAxon
InChI
InChI=1S/C11H13N2O/c12-9(7-14)5-8-6-13-11-4-2-1-3-10(8)11/h1-4,6,9,14H,5,7,12H2/t9-/m1/s1
ChemAxon
InChIKey
InChIKey=LNCFQEJIKIINLX-SECBINFHSA-N
ChemAxon
Polar Surface Area (PSA)
59.14
ChemAxon
Refractivity
54.83
ChemAxon
Polarizability
20.63
ChemAxon
Rotatable Bond Count
3
ChemAxon
H Bond Acceptor Count
3
ChemAxon
H Bond Donor Count
2
ChemAxon
pKa (strongest acidic)
15.12
ChemAxon
pKa (strongest basic)
9.28
ChemAxon
Physiological Charge
1
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
2734051
PubChem Substance
46509137
PDB
TPL
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object