| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 15 | Yes |
Popular Name: Troxacitabine Troxacitabine
Find On: PubMed — Wikipedia — Google
CAS Number: 145918-75-8
| 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) | -1.63 | -2.71 | -21.39 | 3 | 7 | 0 | 100 | 213.193 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50607-1-O | Human Immunodeficiency Virus 1 (cluster #1 Of 10), Other | Other | 16 | 0.73 | Functional ≤ 10μM |
| Z50607-1-O | Human Immunodeficiency Virus 1 (cluster #1 Of 10), Other | Other | 1300 | 0.55 | Functional ≤ 10μM |
| Z80583-1-O | Vero (Kidney Cells) (cluster #1 Of 7), Other | Other | 170 | 0.63 | Functional ≤ 10μM |
| Z80874-1-O | CEM (T-cell Leukemia) (cluster #1 Of 7), Other | Other | 80 | 0.66 | Functional ≤ 10μM |
| Z80949-1-O | Hepatoma Cell Line (cluster #1 Of 1), Other | Other | 5000 | 0.49 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80874 | Z80874 | CEM (T-cell Leukemia) | 2400 | 0.52 | Functional ≤ 10μM |
| Z80949 | Z80949 | Hepatoma Cell Line | 0.5 | 0.87 | Functional ≤ 10μM |
| Z50607 | Z50607 | Human Immunodeficiency Virus 1 | 16 | 0.73 | Functional ≤ 10μM |
| Z80583 | Z80583 | Vero (Kidney Cells) | 170 | 0.63 | Functional ≤ 10μM |
