| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 28th, 2009 | 19 | Yes |
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) | 3.58 | 7.32 | -10.99 | 1 | 3 | 0 | 42 | 251.285 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80254-1-O | MES-SA (Uterine Sarcoma Cells) (cluster #1 Of 2), Other | Other | 8064 | 0.38 | Functional ≤ 10μM |
| Z80269-1-O | MKN-45 (Gastric Adenocarcinoma Cells) (cluster #1 Of 3), Other | Other | 3939 | 0.40 | Functional ≤ 10μM |
| Z80682-1-O | A549 (Lung Carcinoma Cells) (cluster #1 Of 11), Other | Other | 8562 | 0.37 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80682 | Z80682 | A549 (Lung Carcinoma Cells) | 8562 | 0.37 | Functional ≤ 10μM |
| Z80254 | Z80254 | MES-SA (Uterine Sarcoma Cells) | 8064 | 0.38 | Functional ≤ 10μM |
| Z80269 | Z80269 | MKN-45 (Gastric Adenocarcinoma Cells) | 3939 | 0.40 | Functional ≤ 10μM |
