| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 8th, 2006 | 25 | No |
Popular Name: Abacavir5'-Phosphate Abacavir5'-Phosphate
Find On: PubMed — Wikipedia — Google
CAS Number: 136470-77-4
| 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) | 0.56 | -5.08 | -135.62 | 3 | 10 | -2 | 154 | 364.302 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0434450A3 | IBM Patent Data |
| Reactome Database Links | REACT_120830; REACT_121193 | ChEBI |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50606-1-O | Hepatitis B Virus (cluster #1 Of 3), Other | Other | 550 | 0.35 | Functional ≤ 10μM |
| Z50607-1-O | Human Immunodeficiency Virus 1 (cluster #1 Of 10), Other | Other | 8 | 0.45 | Functional ≤ 10μM |
| Z50612-1-O | Moloney Murine Sarcoma Virus (cluster #1 Of 2), Other | Other | 1600 | 0.32 | Functional ≤ 10μM |
| Z50658-2-O | Human Immunodeficiency Virus 2 (cluster #2 Of 4), Other | Other | 90 | 0.39 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50606 | Z50606 | Hepatitis B Virus | 550 | 0.35 | Functional ≤ 10μM |
| Z50607 | Z50607 | Human Immunodeficiency Virus 1 | 70 | 0.40 | Functional ≤ 10μM |
| Z50658 | Z50658 | Human Immunodeficiency Virus 2 | 90 | 0.39 | Functional ≤ 10μM |
| Z50612 | Z50612 | Moloney Murine Sarcoma Virus | 1600 | 0.32 | Functional ≤ 10μM |
