| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 17 | Yes |
Popular Name: [(2S,5S)-5-adenin-9-yl-2,5-dihydrofuran-2-yl]methanol [(2S,5S)-5-adenin-9-yl-2,5-dihyd…
| 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) | 0.00 | 0.81 | -11.26 | 3 | 7 | 0 | 99 | 233.231 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.00 | 1.06 | -35.84 | 4 | 7 | 1 | 100 | 234.239 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.00 | -3.32 | -34.32 | 4 | 7 | 1 | 100 | 234.239 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80874-7-O | CEM (T-cell Leukemia) (cluster #7 Of 7), Other | Other | 540 | 0.52 | Functional ≤ 10μM |
| Z81020-1-O | HepG2 (Hepatoblastoma Cells) (cluster #1 Of 8), Other | Other | 1200 | 0.49 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80874 | Z80874 | CEM (T-cell Leukemia) | 540 | 0.52 | Functional ≤ 10μM |
| Z81020 | Z81020 | HepG2 (Hepatoblastoma Cells) | 1200 | 0.49 | Functional ≤ 10μM |
