| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 28th, 2010 | 21 | Yes |
Popular Name: 2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(methoxymethyl)tetrahydrofuran-2-yl]-1H-purin-6-one 2-amino-9-[(2R,3R,4S,5R)-3,4-dih…
| 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) | -1.40 | -2.48 | -22.31 | 5 | 10 | 0 | 149 | 297.271 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO2000018957A1 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z100497-1-O | Bovine Viral Diarrhea Virus (cluster #1 Of 3), Other | Other | 1800 | 0.38 | Functional ≤ 10μM |
| Z50642-1-O | Yellow Fever Virus (cluster #1 Of 1), Other | Other | 2500 | 0.37 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z100497 | Z100497 | Bovine Viral Diarrhea Virus | 1800 | 0.38 | Functional ≤ 10μM |
| Z50642 | Z50642 | Yellow Fever Virus | 2500 | 0.37 | Functional ≤ 10μM |
