Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| May 21st, 2010 |
40 |
No
|
Popular Name:
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]
[(2S,3R,4S,5S,6R)-3,4,5-trihydro…
Find On:
PubMed —
Wikipedia —
Google
Download:
MOL2
SDF
SMILES
Flexibase
Physical Representations
|
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
|
Ref
Reference (pH 7)
|
1.39 |
0.51 |
-17.67 |
5 |
12 |
0 |
189 |
566.6 |
8 |
↓
|
Clustered Target Annotations
| Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
Z80156-1-O |
HL-60 (Promyeloblast Leukemia Cells) (cluster #1 Of 4), Other |
Other |
4090 |
0.19 |
ADME/T ≤ 10μM
|
ChEMBL Target Annotations
| Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
Z80156 |
Z80156
|
HL-60 (Promyeloblast Leukemia Cells) |
4090 |
0.19 |
ADME/T ≤ 10μM
|
No pre-computed analogs available. Try a structural similarity search.
