| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 18 | Yes |
Popular Name: LS-187535 LS-187535
| 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) | -0.48 | 2.47 | -17.8 | 4 | 7 | 0 | 110 | 247.258 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Reactome Database Links | REACT_120749 | ChEBI |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z100081-3-O | PBMC (Peripheral Blood Mononuclear Cells) (cluster #3 Of 4), Other | Other | 550 | 0.49 | Functional ≤ 10μM |
| Z50602-2-O | Human Herpesvirus 1 (cluster #2 Of 5), Other | Other | 8000 | 0.40 | Functional ≤ 10μM |
| Z50606-1-O | Hepatitis B Virus (cluster #1 Of 3), Other | Other | 10000 | 0.39 | Functional ≤ 10μM |
| Z50607-1-O | Human Immunodeficiency Virus 1 (cluster #1 Of 10), Other | Other | 870 | 0.47 | Functional ≤ 10μM |
| Z50612-1-O | Moloney Murine Sarcoma Virus (cluster #1 Of 2), Other | Other | 6000 | 0.41 | Functional ≤ 10μM |
| Z50658-2-O | Human Immunodeficiency Virus 2 (cluster #2 Of 4), Other | Other | 2300 | 0.44 | Functional ≤ 10μM |
| Z50677-1-O | Human Immunodeficiency Virus (cluster #1 Of 3), Other | Other | 43 | 0.57 | Functional ≤ 10μM |
| Z80295-2-O | MT4 (Lymphocytes) (cluster #2 Of 8), Other | Other | 4600 | 0.42 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50606 | Z50606 | Hepatitis B Virus | 10000 | 0.39 | Functional ≤ 10μM |
| Z50602 | Z50602 | Human Herpesvirus 1 | 5000 | 0.41 | Functional ≤ 10μM |
| Z50677 | Z50677 | Human Immunodeficiency Virus | 43 | 0.57 | Functional ≤ 10μM |
| Z50607 | Z50607 | Human Immunodeficiency Virus 1 | 200 | 0.52 | Functional ≤ 10μM |
| Z50658 | Z50658 | Human Immunodeficiency Virus 2 | 2300 | 0.44 | Functional ≤ 10μM |
| Z50612 | Z50612 | Moloney Murine Sarcoma Virus | 6000 | 0.41 | Functional ≤ 10μM |
| Z80295 | Z80295 | MT4 (Lymphocytes) | 4600 | 0.42 | Functional ≤ 10μM |
| Z100081 | Z100081 | PBMC (Peripheral Blood Mononuclear Cells) | 550 | 0.49 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Abacavir metabolism |
