About: http://linked.opendata.cz/resource/drugbank/property/271B4B0C-363D-11E5-9242-09173F13E4C5     Goto   Sponge   Distinct   Permalink

An Entity of Type : owl:Thing, within Data Space : linked.opendata.cz associated with source document(s)

AttributesValues
http://linked.open...nk/propertySource
  • ALOGPS
  • ChemAxon
  • PERRISSOUD,D & TESTA,B (1986)
http://linked.open...ank/propertyValue
  • 0
  • 1
  • 16
  • 5
  • 2.52
  • -1
  • -3.2
  • 57.78
  • (2R)-2-benzylbutanedioic acid
  • 371.960700206
  • 379.492
  • CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](O)C(C)(C)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@@H]1O[C@H]([C@H](O)[C@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N
  • 7.74e-03 g/l
  • 98.82
  • InChIKey=OFPXSFXSNFPTHF-UHFFFAOYSA-N
is http://linked.open...ugbank/IUPAC-Name of
is http://linked.open.../Molecular-Weight of
is http://linked.open...noisotopic-Weight of
is http://linked.open...y/drugbank/SMILES of
is http://linked.open.../Water-Solubility of
is http://linked.open...ogy/drugbank/logP of
is http://linked.open...drugbank/InChIKey of
is http://linked.open...urface-Area--PSA- of
is http://linked.open...atable-Bond-Count of
is http://linked.open...nk/MDDR-Like-Rule of
is http://linked.open...k/Number-of-Rings of
is http://linked.open...siological-Charge of
is http://linked.open...bank/Rule-of-Five of
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