| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 21 | No |
Popular Name: 5'-ethylthioadenosine 5'-ethylthioadenosine
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) | 0.68 | 1.15 | -14.02 | 4 | 8 | 0 | 119 | 311.367 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.68 | 1.4 | -34.02 | 5 | 8 | 1 | 121 | 312.375 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.68 | -3.01 | -32.76 | 5 | 8 | 1 | 121 | 312.375 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 5.00e+00 g/l | DrugBank-experimental |
| PUBCHEM_PATENT_ID | EP0233031B1; US4373097; US4454122; 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 | 1900 | 0.38 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MTAP_MOUSE | Q9CQ65 | S-methyl-5-thioadenosine Phosphorylase, Mouse | 1900 | 0.38 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Methionine salvage pathway |
