| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 11th, 2010 | 22 | No |
Popular Name: (2S,3R,3aS,6aS)-2-(decoxymethyl)-3-hydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one (2S,3R,3aS,6aS)-2-(decoxymethyl)…
| 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) | 3.48 | 6.03 | -8.73 | 1 | 5 | 0 | 65 | 314.422 | 11 | ↓ |
| 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 | 140 | 0.44 | Functional ≤ 10μM |
| Z80186-3-O | K562 (Erythroleukemia Cells) (cluster #3 Of 11), Other | Other | 1250 | 0.38 | Functional ≤ 10μM |
| Z81247-3-O | HeLa (Cervical Adenocarcinoma Cells) (cluster #3 Of 9), Other | Other | 300 | 0.42 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 300 | 0.42 | Functional ≤ 10μM |
| Z80156 | Z80156 | HL-60 (Promyeloblast Leukemia Cells) | 140 | 0.44 | Functional ≤ 10μM |
| Z80186 | Z80186 | K562 (Erythroleukemia Cells) | 1250 | 0.38 | Functional ≤ 10μM |
