| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 1st, 2006 | 18 | Yes |
Popular Name: dc-81 dc-81
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) | 0.36 | -2.36 | -13.83 | 1 | 5 | 0 | 62 | 246.266 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80133-1-O | EMT6 (Mammary Carcinoma Cells) (cluster #1 Of 3), Other | Other | 1100 | 0.46 | Functional ≤ 10μM |
| Z80186-1-O | K562 (Erythroleukemia Cells) (cluster #1 Of 11), Other | Other | 1000 | 0.47 | Functional ≤ 10μM |
| Z80193-2-O | L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other | Other | 380 | 0.50 | Functional ≤ 10μM |
| Z80391-1-O | PC-6 (Small Cell Lung Carcinoma Cells) (cluster #1 Of 1), Other | Other | 330 | 0.50 | Functional ≤ 10μM |
| Z80493-2-O | SK-OV-3 (Ovarian Carcinoma Cells) (cluster #2 Of 6), Other | Other | 1900 | 0.44 | Functional ≤ 10μM |
| Z80578-1-O | UV4 (cluster #1 Of 1), Other | Other | 1500 | 0.45 | Functional ≤ 10μM |
| Z80667-1-O | AA8 (cluster #1 Of 2), Other | Other | 2000 | 0.44 | Functional ≤ 10μM |
| Z80768-1-O | CH1 (Ovarian Carcinoma Cells) (cluster #1 Of 1), Other | Other | 100 | 0.54 | Functional ≤ 10μM |
| Z81072-1-O | Jurkat (Acute Leukemic T-cells) (cluster #1 Of 10), Other | Other | 2200 | 0.44 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80667 | Z80667 | AA8 | 2000 | 0.44 | Functional ≤ 10μM |
| Z80768 | Z80768 | CH1 (Ovarian Carcinoma Cells) | 100 | 0.54 | Functional ≤ 10μM |
| Z80133 | Z80133 | EMT6 (Mammary Carcinoma Cells) | 1100 | 0.46 | Functional ≤ 10μM |
| Z81072 | Z81072 | Jurkat (Acute Leukemic T-cells) | 2200 | 0.44 | Functional ≤ 10μM |
| Z80186 | Z80186 | K562 (Erythroleukemia Cells) | 1000 | 0.47 | Functional ≤ 10μM |
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 380 | 0.50 | Functional ≤ 10μM |
| Z80391 | Z80391 | PC-6 (Small Cell Lung Carcinoma Cells) | 330 | 0.50 | Functional ≤ 10μM |
| Z80493 | Z80493 | SK-OV-3 (Ovarian Carcinoma Cells) | 1900 | 0.44 | Functional ≤ 10μM |
| Z80578 | Z80578 | UV4 | 1500 | 0.45 | Functional ≤ 10μM |
