| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 2nd, 2006 | 23 | No |
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) | 8.28 | 10.37 | -4.91 | 2 | 2 | 0 | 40 | 320.517 | 14 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Patent Database Links | US2006167107 | ChEBI |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80039-1-O | BGC-823 (Stomach Adenocarcinoma Cells) (cluster #1 Of 2), Other | Other | 1740 | 0.35 | Functional ≤ 10μM |
| Z80136-5-O | FM3A (Breast Carcinoma Cells) (cluster #5 Of 6), Other | Other | 2800 | 0.34 | Functional ≤ 10μM |
| Z80682-1-O | A549 (Lung Carcinoma Cells) (cluster #1 Of 11), Other | Other | 1430 | 0.36 | Functional ≤ 10μM |
| Z80697-3-O | Bel-7402 (Hepatoma Cells) (cluster #3 Of 3), Other | Other | 1930 | 0.35 | Functional ≤ 10μM |
| Z81034-3-O | A2780 (Ovarian Carcinoma Cells) (cluster #3 Of 10), Other | Other | 1310 | 0.36 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81034 | Z81034 | A2780 (Ovarian Carcinoma Cells) | 1310 | 0.36 | Functional ≤ 10μM |
| Z80682 | Z80682 | A549 (Lung Carcinoma Cells) | 1430 | 0.36 | Functional ≤ 10μM |
| Z80697 | Z80697 | Bel-7402 (Hepatoma Cells) | 1930 | 0.35 | Functional ≤ 10μM |
| Z80039 | Z80039 | BGC-823 (Stomach Adenocarcinoma Cells) | 1740 | 0.35 | Functional ≤ 10μM |
| Z80136 | Z80136 | FM3A (Breast Carcinoma Cells) | 2800 | 0.34 | Functional ≤ 10μM |
