| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 9th, 2008 | 27 | No |
Popular Name: [(2R,3R,5S)-5-(6-methylaminopurin-9-yl)-3-phosphonooxy-tetrahydrofuran-2-yl]methyl [(2R,3R,5S)-5-(6-methylaminopuri…
| 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) | -1.85 | 2.9 | -351.83 | 1 | 14 | -4 | 210 | 421.199 | 7 | ↓ |
| Mid Mid (pH 6-8) | -1.85 | 1.75 | -220.72 | 2 | 14 | -3 | 207 | 422.207 | 7 | ↓ |
| Mid Mid (pH 6-8) | -1.85 | 1.74 | -222.76 | 2 | 14 | -3 | 207 | 422.207 | 7 | ↓ |
| Lo Low (pH 4.5-6) | -1.85 | 0.6 | -109.94 | 3 | 14 | -2 | 204 | 423.215 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50597-1-O | Rattus Norvegicus (cluster #1 Of 12), Other | Other | 580 | 0.32 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50597 | Z50597 | Rattus Norvegicus | 580 | 0.32 | Functional ≤ 10μM |
