| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 7th, 2009 | 21 | 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) | 2.46 | 4.98 | -9.91 | 2 | 5 | 0 | 71 | 287.315 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80099-3-O | COLO 205 (Colon Adenocarcinoma Cells) (cluster #3 Of 3), Other | Other | 364 | 0.43 | Functional ≤ 10μM |
| Z80120-1-O | DLD-1 (Colon Adenocarcinoma Cells) (cluster #1 Of 5), Other | Other | 1324 | 0.39 | Functional ≤ 10μM |
| Z80125-1-O | DU-145 (Prostate Carcinoma) (cluster #1 Of 9), Other | Other | 3249 | 0.37 | Functional ≤ 10μM |
| Z80224-1-O | MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other | Other | 817 | 0.41 | Functional ≤ 10μM |
| Z80255-2-O | MES-SA/DxS (Uterine Sarcoma Cells) (cluster #2 Of 2), Other | Other | 2292 | 0.38 | Functional ≤ 10μM |
| Z80900-1-O | HA22T Cell Line (cluster #1 Of 1), Other | Other | 3721 | 0.36 | Functional ≤ 10μM |
| Z80967-2-O | Hone-1 Cell Line (cluster #2 Of 2), Other | Other | 380 | 0.43 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80099 | Z80099 | COLO 205 (Colon Adenocarcinoma Cells) | 364 | 0.43 | Functional ≤ 10μM |
| Z80120 | Z80120 | DLD-1 (Colon Adenocarcinoma Cells) | 1324 | 0.39 | Functional ≤ 10μM |
| Z80125 | Z80125 | DU-145 (Prostate Carcinoma) | 3249 | 0.37 | Functional ≤ 10μM |
| Z80900 | Z80900 | HA22T Cell Line | 3721 | 0.36 | Functional ≤ 10μM |
| Z80967 | Z80967 | Hone-1 Cell Line | 380 | 0.43 | Functional ≤ 10μM |
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 817 | 0.41 | Functional ≤ 10μM |
| Z80255 | Z80255 | MES-SA/DxS (Uterine Sarcoma Cells) | 1535 | 0.39 | Functional ≤ 10μM |
