| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 4th, 2006 | 19 | Yes |
Popular Name: (2R,3S,4R,5R)-2-(Hydroxymethyl)-5-(6-methyl-9H-purin-9-yl)tetrahydrofuran-3,4-diol (2R,3S,4R,5R)-2-(Hydroxymethyl)-…
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CAS Numbers: 14675-48-0 , [14675-48-0]
(2S,3R,4S,5S)-2-(hydroxymethyl)-5-(6-methyl-9H-purin-9-yl)-tetrahydrofuran-3,4-diol
| 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) | -1.05 | -9.06 | -15.2 | 3 | 8 | 0 | 113 | 266.257 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4387161; US5902740 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z101767-1-O | Dengue Virus 2 (cluster #1 Of 1), Other | Other | 5460 | 0.39 | Functional ≤ 10μM |
| Z50076-1-O | Poliovirus (cluster #1 Of 2), Other | Other | 1010 | 0.44 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z101767 | Z101767 | Dengue Virus 2 | 5460 | 0.39 | Functional ≤ 10μM |
| Z50076 | Z50076 | Poliovirus | 1010 | 0.44 | Functional ≤ 10μM |
