| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 22 | No |
Popular Name: 5-N-PROPYLTHIOADENOSINE 5-N-PROPYLTHIOADENOSINE
None
| 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) | 1.18 | 1.85 | -13.95 | 4 | 8 | 0 | 119 | 325.394 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.18 | 2.1 | -33.89 | 5 | 8 | 1 | 121 | 326.402 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.18 | -2.31 | -32.49 | 5 | 8 | 1 | 121 | 326.402 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0233031B1; US4820692 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MTAP-1-E | S-methyl-5-thioadenosine Phosphorylase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1700 | 0.37 | Binding ≤ 10μM |
| Z100273-1-O | P3 Purinoceptor (cluster #1 Of 1), Other | Other | 1100 | 0.38 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z100273 | Z100273 | P3 Purinoceptor | 1100 | 0.38 | Binding ≤ 10μM |
| MTAP_MOUSE | Q9CQ65 | S-methyl-5-thioadenosine Phosphorylase, Mouse | 1700 | 0.37 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Methionine salvage pathway |
