| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 4th, 2008 | 24 | Yes |
Popular Name: 5-benzyl-3-(4-chlorophenyl)-4H-pyrazolo[5,1-b]pyrimidin-7-one 5-benzyl-3-(4-chlorophenyl)-4H-p…
| 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) | 5.30 | 10.59 | -39.78 | 0 | 4 | -1 | 53 | 334.786 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TKT-1-E | Transketolase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3900 | 0.32 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TKT_HUMAN | P29401 | Transketolase, Human | 3900 | 0.32 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Insulin effects increased synthesis of Xylulose-5-Phosphate | |
| Pentose phosphate pathway (hexose monophosphate shunt) |
