| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 4th, 2005 | 19 | Yes |
Popular Name: 3-(6-aminopurin-9-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol 3-(6-aminopurin-9-yl)-5-(hydroxy…
| 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) | -1.13 | -9.14 | -11.84 | 5 | 8 | 0 | 130 | 265.273 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -4.39 | -8.98 | -36.11 | 6 | 8 | 1 | 132 | 266.281 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA-1-E | Adenosine Deaminase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 9900 | 0.37 | Binding ≤ 10μM |
| SAHH-1-E | Adenosylhomocysteinase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 110 | 0.51 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SAHH_HUMAN | P23526 | Adenosylhomocysteinase, Human | 110 | 0.51 | Binding ≤ 1μM |
| ADA_MOUSE | P03958 | Adenosine Deaminase, Mouse | 9900 | 0.37 | Binding ≤ 10μM |
| SAHH_HUMAN | P23526 | Adenosylhomocysteinase, Human | 110 | 0.51 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Methylation | |
| Purine salvage | |
| Sulfur amino acid metabolism |
