| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 5th, 2010 | 39 | No |
Popular Name: [(1R)-2-(6-aminopurin-9-yl)-1-methyl-ethoxy]methyl-(3-hexadecoxypropoxy)phosphinic [(1R)-2-(6-aminopurin-9-yl)-1-me…
| 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) | 7.41 | 16.43 | -49.23 | 2 | 10 | -1 | 137 | 568.72 | 25 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50606-1-O | Hepatitis B Virus (cluster #1 Of 3), Other | Other | 490 | 0.23 | Functional ≤ 10μM |
| Z50607-1-O | Human Immunodeficiency Virus 1 (cluster #1 Of 10), Other | Other | 10 | 0.29 | Functional ≤ 10μM |
| Z50658-2-O | Human Immunodeficiency Virus 2 (cluster #2 Of 4), Other | Other | 4 | 0.30 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50606 | Z50606 | Hepatitis B Virus | 1600 | 0.21 | Functional ≤ 10μM |
| Z50607 | Z50607 | Human Immunodeficiency Virus 1 | 0.1 | 0.36 | Functional ≤ 10μM |
| Z50658 | Z50658 | Human Immunodeficiency Virus 2 | 3.5 | 0.30 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.