| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 11th, 2010 | 20 | No |
Popular Name: (5R)-5-[(1R)-2-decoxy-1-hydroxy-ethyl]tetrahydrofuran-2-one (5R)-5-[(1R)-2-decoxy-1-hydroxy-…
| 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) | 2.97 | 7.95 | -8.79 | 1 | 4 | 0 | 56 | 286.412 | 12 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80156-3-O | HL-60 (Promyeloblast Leukemia Cells) (cluster #3 Of 12), Other | Other | 150 | 0.48 | Functional ≤ 10μM |
| Z80186-3-O | K562 (Erythroleukemia Cells) (cluster #3 Of 11), Other | Other | 130 | 0.48 | Functional ≤ 10μM |
| Z81072-2-O | Jurkat (Acute Leukemic T-cells) (cluster #2 Of 10), Other | Other | 3010 | 0.39 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80156 | Z80156 | HL-60 (Promyeloblast Leukemia Cells) | 150 | 0.48 | Functional ≤ 10μM |
| Z81072 | Z81072 | Jurkat (Acute Leukemic T-cells) | 3010 | 0.39 | Functional ≤ 10μM |
| Z80186 | Z80186 | K562 (Erythroleukemia Cells) | 130 | 0.48 | Functional ≤ 10μM |
