| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 1st, 2008 | 16 | No |
Popular Name: Emtricitabine Emtricitabine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 143491-57-0 , [143491-57-0]
(-)-BETA-2',3'-DIDEOXY-5-FLUORO-3'-THIACYTIDINE
4-Amino-5-fluoro-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidin-2(1H)-one
| 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) | -0.67 | -6.98 | -12.71 | 3 | 6 | 0 | 90 | 247.251 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 98.0% | APIChem |
| PUBCHEM_PATENT_ID | EP0575482A1; WO1992014743A2 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80295-2-O | MT4 (Lymphocytes) (cluster #2 Of 8), Other | Other | 2100 | 0.50 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80295 | Z80295 | MT4 (Lymphocytes) | 2100 | 0.50 | Functional ≤ 10μM |
