| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 15th, 2008 | 19 | Yes |
Popular Name: [(3Z,5S,9S)-3-hexa-2,4-diynylidene-4,6-dioxaspiro[4.4]nona-1,7-dien-9-yl] [(3Z,5S,9S)-3-hexa-2,4-diynylide…
| 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) | 3.19 | 9.13 | -17.29 | 0 | 4 | 0 | 45 | 256.257 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80156-5-O | HL-60 (Promyeloblast Leukemia Cells) (cluster #5 Of 12), Other | Other | 4200 | 0.40 | Functional ≤ 10μM |
| Z81072-8-O | Jurkat (Acute Leukemic T-cells) (cluster #8 Of 10), Other | Other | 5200 | 0.39 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80156 | Z80156 | HL-60 (Promyeloblast Leukemia Cells) | 4200 | 0.40 | Functional ≤ 10μM |
| Z81072 | Z81072 | Jurkat (Acute Leukemic T-cells) | 4100 | 0.40 | Functional ≤ 10μM |
