| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 20th, 2009 | 17 | 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) | 3.92 | 6.41 | -13.57 | 2 | 3 | 0 | 41 | 254.761 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80186-11-O | K562 (Erythroleukemia Cells) (cluster #11 Of 11), Other | Other | 10000 | 0.41 | Functional ≤ 10μM |
| Z80211-2-O | LoVo (Colon Adenocarcinoma Cells) (cluster #2 Of 5), Other | Other | 10000 | 0.41 | Functional ≤ 10μM |
| Z80362-3-O | P388 (Lymphoma Cells) (cluster #3 Of 8), Other | Other | 10000 | 0.41 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80186 | Z80186 | K562 (Erythroleukemia Cells) | 10000 | 0.41 | Functional ≤ 10μM |
| Z80211 | Z80211 | LoVo (Colon Adenocarcinoma Cells) | 10000 | 0.41 | Functional ≤ 10μM |
| Z80362 | Z80362 | P388 (Lymphoma Cells) | 10000 | 0.41 | Functional ≤ 10μM |
