| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 14th, 2009 | 22 | No |
Popular Name: (4aR,9aR)-2-(4-methylpent-3-enyl)-1,4,4a,9a-tetrahydroanthracene-9,10-dione (4aR,9aR)-2-(4-methylpent-3-enyl…
None
| 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) | 4.85 | 11.41 | -6.18 | 0 | 2 | 0 | 34 | 294.394 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80362-1-O | P388 (Lymphoma Cells) (cluster #1 Of 8), Other | Other | 8500 | 0.32 | Functional ≤ 10μM |
| Z80682-1-O | A549 (Lung Carcinoma Cells) (cluster #1 Of 11), Other | Other | 8500 | 0.32 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80682 | Z80682 | A549 (Lung Carcinoma Cells) | 8500 | 0.32 | Functional ≤ 10μM |
| Z80362 | Z80362 | P388 (Lymphoma Cells) | 8500 | 0.32 | Functional ≤ 10μM |
