| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 3rd, 2008 | 17 | Yes |
Popular Name: 1-[(2R,4R,5R)-4-fluoro-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione 1-[(2R,4R,5R)-4-fluoro-5-(hydrox…
| 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) | -0.50 | -0.36 | -20.91 | 2 | 6 | 0 | 84 | 244.222 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0286825A2; EP0332626A1; EP0350287B1; EP0356166B1; EP0450585A2; EP0450585A3; EP0457326A1; EP0470355A1; EP0470355B1; EP0472019A1; EP0472019B1; EP0479336A1; EP0482081A1; EP0482081B1; EP0495225A1; EP0500610A1; EP0533825A1; EP0533825B1; EP0540807A1; EP054080 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q72547-1-V | Human Immunodeficiency Virus Type 1 Reverse Transcriptase (cluster #1 Of 6), Viral | Viruses | 50 | 0.60 | Binding ≤ 10μM |
| Z80295-2-O | MT4 (Lymphocytes) (cluster #2 Of 8), Other | Other | 1 | 0.74 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q72547_9HIV1 | Q72547 | Human Immunodeficiency Virus Type 1 Reverse Transcriptase, 9hiv1 | 50 | 0.60 | Binding ≤ 1μM |
| Q72547_9HIV1 | Q72547 | Human Immunodeficiency Virus Type 1 Reverse Transcriptase, 9hiv1 | 50 | 0.60 | Binding ≤ 10μM |
| Z80295 | Z80295 | MT4 (Lymphocytes) | 1 | 0.74 | Functional ≤ 10μM |
