| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 17th, 2006 | 19 | Yes |
Popular Name: 1-[4-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione 1-[4-ethynyl-3,4-dihydroxy-5-(hy…
| 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) | -2.82 | -8.58 | -11.81 | 4 | 8 | 0 | 124 | 268.225 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80101-2-O | COLO 320DM (Colon Adenocarcinoma Cells) (cluster #2 Of 2), Other | Other | 60 | 0.53 | Functional ≤ 10μM |
| Z80120-2-O | DLD-1 (Colon Adenocarcinoma Cells) (cluster #2 Of 5), Other | Other | 66 | 0.53 | Functional ≤ 10μM |
| Z80164-1-O | HT-1080 (Fibrosarcoma Cells) (cluster #1 Of 6), Other | Other | 24 | 0.56 | Functional ≤ 10μM |
| Z80268-2-O | MKN-28 (Gastric Epithelial Carcinoma Cells) (cluster #2 Of 2), Other | Other | 80 | 0.52 | Functional ≤ 10μM |
| Z80269-1-O | MKN-45 (Gastric Adenocarcinoma Cells) (cluster #1 Of 3), Other | Other | 24 | 0.56 | Functional ≤ 10μM |
| Z80347-1-O | NUGC-3 (Gastric Carcinoma Cells) (cluster #1 Of 2), Other | Other | 34 | 0.55 | Functional ≤ 10μM |
| Z80525-1-O | SW48 (cluster #1 Of 2), Other | Other | 120 | 0.51 | Functional ≤ 10μM |
| Z80532-1-O | T-24 (Bladder Carcinoma Cells) (cluster #1 Of 6), Other | Other | 34 | 0.55 | Functional ≤ 10μM |
| Z80682-1-O | A549 (Lung Carcinoma Cells) (cluster #1 Of 11), Other | Other | 29 | 0.56 | Functional ≤ 10μM |
| Z80686-1-O | AZ-521 Cell Line (cluster #1 Of 1), Other | Other | 36 | 0.55 | Functional ≤ 10μM |
| Z81121-1-O | KKLS Cell Line (cluster #1 Of 1), Other | Other | 190 | 0.50 | Functional ≤ 10μM |
| Z81330-1-O | SNU- (cluster #1 Of 1), Other | Other | 18 | 0.57 | Functional ≤ 10μM |
| Z81335-2-O | HCT-15 (Colon Adenocarcinoma Cells) (cluster #2 Of 5), Other | Other | 43 | 0.54 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80682 | Z80682 | A549 (Lung Carcinoma Cells) | 29 | 0.56 | Functional ≤ 10μM |
| Z80686 | Z80686 | AZ-521 Cell Line | 36 | 0.55 | Functional ≤ 10μM |
| Z80101 | Z80101 | COLO 320DM (Colon Adenocarcinoma Cells) | 60 | 0.53 | Functional ≤ 10μM |
| Z80120 | Z80120 | DLD-1 (Colon Adenocarcinoma Cells) | 66 | 0.53 | Functional ≤ 10μM |
| Z81335 | Z81335 | HCT-15 (Colon Adenocarcinoma Cells) | 43 | 0.54 | Functional ≤ 10μM |
| Z80164 | Z80164 | HT-1080 (Fibrosarcoma Cells) | 24 | 0.56 | Functional ≤ 10μM |
| Z81121 | Z81121 | KKLS Cell Line | 190 | 0.50 | Functional ≤ 10μM |
| Z80268 | Z80268 | MKN-28 (Gastric Epithelial Carcinoma Cells) | 80 | 0.52 | Functional ≤ 10μM |
| Z80269 | Z80269 | MKN-45 (Gastric Adenocarcinoma Cells) | 24 | 0.56 | Functional ≤ 10μM |
| Z80347 | Z80347 | NUGC-3 (Gastric Carcinoma Cells) | 34 | 0.55 | Functional ≤ 10μM |
| Z81330 | Z81330 | SNU- | 18 | 0.57 | Functional ≤ 10μM |
| Z80525 | Z80525 | SW48 | 120 | 0.51 | Functional ≤ 10μM |
| Z80532 | Z80532 | T-24 (Bladder Carcinoma Cells) | 34 | 0.55 | Functional ≤ 10μM |
