| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2005 | 17 | Yes |
Popular Name: Floxuridine Floxuridine
| 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) | -1.72 | -7.13 | -13.25 | 3 | 7 | 0 | 104 | 246.194 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 149-150° | Matrix Scientific |
| Purity | 99% | Matrix Scientific |
| Therapy | antineoplastic, antimetabolite | SMDC Pharmakon |
| PUBCHEM_PATENT_ID | EP0717748A1; EP0717748B1 | IBM Patent Data |
| Warnings | IRRITANT, TOXIC | Matrix Scientific |
| Warnings | Toxic/Irritant | Matrix Scientific |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80532-1-O | T-24 (Bladder Carcinoma Cells) (cluster #1 Of 6), Other | Other | 4100 | 0.44 | Functional ≤ 10μM |
| Z80641-1-O | 791T Cell Line (cluster #1 Of 1), Other | Other | 3200 | 0.45 | Functional ≤ 10μM |
| Z80724-1-O | C170 Cell Line (cluster #1 Of 1), Other | Other | 400 | 0.53 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80641 | Z80641 | 791T Cell Line | 3200 | 0.45 | Functional ≤ 10μM |
| Z80724 | Z80724 | C170 Cell Line | 400 | 0.53 | Functional ≤ 10μM |
| Z80532 | Z80532 | T-24 (Bladder Carcinoma Cells) | 4100 | 0.44 | Functional ≤ 10μM |
