| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 5th, 2010 | 22 | 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) | 4.27 | 17.3 | -27.7 | 0 | 1 | 1 | 0 | 310.59 | 15 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-6-O | Plasmodium Falciparum (cluster #6 Of 22), Other | Other | 420 | 0.41 | Functional ≤ 10μM |
| Z80064-2-O | CCRF-CEM (T-cell Leukemia) (cluster #2 Of 9), Other | Other | 1350 | 0.37 | Functional ≤ 10μM |
| Z80224-6-O | MCF7 (Breast Carcinoma Cells) (cluster #6 Of 14), Other | Other | 620 | 0.40 | Functional ≤ 10μM |
| Z80682-5-O | A549 (Lung Carcinoma Cells) (cluster #5 Of 11), Other | Other | 530 | 0.40 | Functional ≤ 10μM |
| Z81072-7-O | Jurkat (Acute Leukemic T-cells) (cluster #7 Of 10), Other | Other | 820 | 0.39 | Functional ≤ 10μM |
| Z81247-6-O | HeLa (Cervical Adenocarcinoma Cells) (cluster #6 Of 9), Other | Other | 2290 | 0.36 | Functional ≤ 10μM |
| Z81252-6-O | MDA-MB-231 (Breast Adenocarcinoma Cells) (cluster #6 Of 11), Other | Other | 3800 | 0.34 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80682 | Z80682 | A549 (Lung Carcinoma Cells) | 530 | 0.40 | Functional ≤ 10μM |
| Z80064 | Z80064 | CCRF-CEM (T-cell Leukemia) | 1350 | 0.37 | Functional ≤ 10μM |
| Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 2290 | 0.36 | Functional ≤ 10μM |
| Z81072 | Z81072 | Jurkat (Acute Leukemic T-cells) | 820 | 0.39 | Functional ≤ 10μM |
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 620 | 0.40 | Functional ≤ 10μM |
| Z81252 | Z81252 | MDA-MB-231 (Breast Adenocarcinoma Cells) | 3800 | 0.34 | Functional ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 420 | 0.41 | Functional ≤ 10μM |
