| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 10th, 2010 | 30 | No |
| 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) | 3.53 | 11.26 | -67.87 | 6 | 8 | 2 | 101 | 400.49 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80156-10-O | HL-60 (Promyeloblast Leukemia Cells) (cluster #10 Of 12), Other | Other | 300 | 0.30 | Functional ≤ 10μM |
| Z80193-4-O | L1210 (Lymphocytic Leukemia Cells) (cluster #4 Of 12), Other | Other | 49 | 0.34 | Functional ≤ 10μM |
| Z80433-2-O | RPMI-8226 (Multiple Myeloma Cells) (cluster #2 Of 3), Other | Other | 9100 | 0.24 | Functional ≤ 10μM |
| Z80526-4-O | SW480 (Colon Adenocarcinoma Cells) (cluster #4 Of 6), Other | Other | 90 | 0.33 | Functional ≤ 10μM |
| Z80682-7-O | A549 (Lung Carcinoma Cells) (cluster #7 Of 11), Other | Other | 17 | 0.36 | Functional ≤ 10μM |
| Z81017-2-O | WiDr (Colon Adenocarcinoma Cells) (cluster #2 Of 5), Other | Other | 790 | 0.28 | Functional ≤ 10μM |
| Z81034-3-O | A2780 (Ovarian Carcinoma Cells) (cluster #3 Of 10), Other | Other | 340 | 0.30 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81034 | Z81034 | A2780 (Ovarian Carcinoma Cells) | 340 | 0.30 | Functional ≤ 10μM |
| Z80682 | Z80682 | A549 (Lung Carcinoma Cells) | 17 | 0.36 | Functional ≤ 10μM |
| Z80156 | Z80156 | HL-60 (Promyeloblast Leukemia Cells) | 300 | 0.30 | Functional ≤ 10μM |
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 3200 | 0.26 | Functional ≤ 10μM |
| Z80433 | Z80433 | RPMI-8226 (Multiple Myeloma Cells) | 18 | 0.36 | Functional ≤ 10μM |
| Z80526 | Z80526 | SW480 (Colon Adenocarcinoma Cells) | 90 | 0.33 | Functional ≤ 10μM |
| Z81017 | Z81017 | WiDr (Colon Adenocarcinoma Cells) | 790 | 0.28 | Functional ≤ 10μM |
