| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 23rd, 2006 | 19 | Yes |
Popular Name: 3'-Deoxy-3'-fluoroadenosine 3'-Deoxy-3'-fluoroadenosine
Find On: PubMed — Wikipedia — Google
CAS Number: 75059-22-2
(2S,3R,4R,5S)-2-(6-amino-9H-purin-9-yl)-4-fluoro-5-(hydroxymethyl)-tetrahydrofuran-3-ol
| 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) | -0.88 | -2.12 | -12.7 | 4 | 8 | 0 | 119 | 269.236 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.88 | -6.24 | -35.79 | 5 | 8 | 1 | 121 | 270.244 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.88 | -1.86 | -34.68 | 5 | 8 | 1 | 121 | 270.244 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0817790A1; US5658890 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q8JXU8-1-V | Hepatitis C Virus NS5B RNA-dependent RNA Polymerase (cluster #1 Of 1), Viral | Viruses | 1200 | 0.44 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q8JXU8_9HEPC | Q8JXU8 | Hepatitis C Virus NS5B RNA-dependent RNA Polymerase, 9hepc | 1200 | 0.44 | Functional ≤ 10μM |
