| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 22nd, 2008 | 25 | No |
Popular Name: 2-chloro-3-(3-hydroxyphenoxy)-5,8-dimethoxy-naphthalene-1,4-dione 2-chloro-3-(3-hydroxyphenoxy)-5,…
| 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) | 3.47 | 7.11 | -15.46 | 1 | 6 | 0 | 82 | 360.749 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80156-1-O | HL-60 (Promyeloblast Leukemia Cells) (cluster #1 Of 12), Other | Other | 67 | 0.40 | Functional ≤ 10μM |
| Z80462-1-O | SCLC (Small Cell Lung Carcinoma Cells) (cluster #1 Of 1), Other | Other | 300 | 0.37 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80156 | Z80156 | HL-60 (Promyeloblast Leukemia Cells) | 67 | 0.40 | Functional ≤ 10μM |
| Z80462 | Z80462 | SCLC (Small Cell Lung Carcinoma Cells) | 300 | 0.37 | Functional ≤ 10μM |
