| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2011 | 32 | Yes |
| 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) | 8.70 | 18.27 | -95.77 | 2 | 2 | 2 | 9 | 442.776 | 0 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-6-O | Plasmodium Falciparum (cluster #6 Of 22), Other | Other | 2300 | 0.25 | Functional ≤ 10μM |
| Z80064-2-O | CCRF-CEM (T-cell Leukemia) (cluster #2 Of 9), Other | Other | 2000 | 0.25 | Functional ≤ 10μM |
| Z80224-2-O | MCF7 (Breast Carcinoma Cells) (cluster #2 Of 14), Other | Other | 3500 | 0.24 | Functional ≤ 10μM |
| Z81248-2-O | Malme-3M (Melanoma Cells) (cluster #2 Of 3), Other | Other | 1500 | 0.25 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80064 | Z80064 | CCRF-CEM (T-cell Leukemia) | 2000 | 0.25 | Functional ≤ 10μM |
| Z81248 | Z81248 | Malme-3M (Melanoma Cells) | 1500 | 0.25 | Functional ≤ 10μM |
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 3500 | 0.24 | Functional ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 2300 | 0.25 | Functional ≤ 10μM |
