| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 10th, 2009 | 20 | No |
Popular Name: 2-[3-[(2-amino-6-methyl-3-pyridyl)methyl]-2-ethyl-4-methyl-thiazol-3-ium-5-yl]ethanol 2-[3-[(2-amino-6-methyl-3-pyridy…
| 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) | -1.82 | 4.6 | -31.32 | 3 | 4 | 1 | 63 | 292.428 | 5 | ↓ |
| Mid Mid (pH 6-8) | -1.82 | 5.03 | -84.75 | 4 | 4 | 2 | 64 | 293.436 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TKT-1-E | Transketolase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 75 | 0.50 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TKT_HUMAN | P29401 | Transketolase, Human | 21 | 0.54 | Binding ≤ 1μM |
| TKT_HUMAN | P29401 | Transketolase, Human | 21 | 0.54 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Insulin effects increased synthesis of Xylulose-5-Phosphate | |
| Pentose phosphate pathway (hexose monophosphate shunt) |
