| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 17th, 2006 | 22 | No |
Popular Name: 6-(1,5-dimethyl-3-oxo-hexyl)-4,8a-dimethyl-1,4a,5,6,7,8-hexahydronaphthalen-2-one 6-(1,5-dimethyl-3-oxo-hexyl)-4,8…
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| 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) | 4.55 | 11.33 | -10.13 | 0 | 2 | 0 | 34 | 304.474 | 5 | ↓ |
| 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 | 2250 | 0.36 | Functional ≤ 10μM |
| Z80186-4-O | K562 (Erythroleukemia Cells) (cluster #4 Of 11), Other | Other | 5040 | 0.34 | Functional ≤ 10μM |
| Z81283-2-O | NCI-H522 (Non-small Cell Lung Carcinoma Cells) (cluster #2 Of 2), Other | Other | 4800 | 0.34 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80156 | Z80156 | HL-60 (Promyeloblast Leukemia Cells) | 2250 | 0.36 | Functional ≤ 10μM |
| Z80186 | Z80186 | K562 (Erythroleukemia Cells) | 5040 | 0.34 | Functional ≤ 10μM |
| Z81283 | Z81283 | NCI-H522 (Non-small Cell Lung Carcinoma Cells) | 4800 | 0.34 | Functional ≤ 10μM |
