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Name | 85618-20-8 |
---|---|
Molecular formula | C13H26O5S |
IUPAC name | (2S,3R,4S,5S,6R)-2-heptylsulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol |
Molecular weight | 294.406 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 4 |
XlogP | 1.6 |
Synonyms | AX8144445 GC8635 Heptyl-beta-D-1-thioglucopyranoside N-Heptylthioglucoside (2S,3R,4S,5S,6R)-2-heptylsulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol [ Show all ] |
Inchi Key | HPEGNLMTTNTJSP-LBELIVKGSA-N |
Inchi ID | InChI=1S/C13H26O5S/c1-2-3-4-5-6-7-19-13-12(17)11(16)10(15)9(8-14)18-13/h9-17H,2-8H2,1H3/t9-,10-,11+,12-,13+/m1/s1 |
PubChem CID | 656917 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | DB04450 |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
120602 | Rhodopsin | P08100 | RHO | Homo sapiens (Human) | 348 |
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