| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 22nd, 2008 | 27 | Yes |
Popular Name: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-indolin-1-ylpurin-9-yl)tetrahydrofuran-3,4-diol (2R,3S,4R,5R)-2-(hydroxymethyl)-…
| 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) | 1.46 | 2.92 | -17.61 | 3 | 9 | 0 | 117 | 369.381 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADK-1-E | Adenosine Kinase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 500 | 0.33 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADK_HUMAN | P55263 | Adenosine Kinase, Human | 500 | 0.33 | Binding ≤ 1μM |
| ADK_HUMAN | P55263 | Adenosine Kinase, Human | 500 | 0.33 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Purine salvage |
