| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 22 | No |
Popular Name: (2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(2-hydroxyethylsulfanylmethyl)tetrahydrofuran-3,4-diol (2R,3R,4S,5S)-2-(6-aminopurin-9-…
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) | -0.33 | -2.28 | -15.19 | 5 | 9 | 0 | 140 | 327.366 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -0.33 | -2.02 | -35.96 | 6 | 9 | 1 | 141 | 328.374 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -0.33 | -6.39 | -37.19 | 6 | 9 | 1 | 141 | 328.374 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0555352A1; US5180714; US5563125; WO1992007570A1 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50420-2-O | Trypanosoma Brucei Brucei (cluster #2 Of 7), Other | Other | 540 | 0.40 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50420 | Z50420 | Trypanosoma Brucei Brucei | 190 | 0.43 | Functional ≤ 10μM |
