| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 7th, 2009 | 19 | No |
None
| 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) | -1.12 | 0.37 | -57.95 | 3 | 10 | -1 | 148 | 288.18 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50587-1-O | Homo Sapiens (cluster #1 Of 9), Other | Other | 300 | 0.48 | Functional ≤ 10μM |
| Z50607-3-O | Human Immunodeficiency Virus 1 (cluster #3 Of 10), Other | Other | 300 | 0.48 | Functional ≤ 10μM |
| Z50609-2-O | Simian Immunodeficiency Virus (cluster #2 Of 2), Other | Other | 3000 | 0.41 | Functional ≤ 10μM |
| Z50657-1-O | Feline Immunodeficiency Virus (cluster #1 Of 2), Other | Other | 1700 | 0.43 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50657 | Z50657 | Feline Immunodeficiency Virus | 1700 | 0.43 | Functional ≤ 10μM |
| Z50587 | Z50587 | Homo Sapiens | 200 | 0.49 | Functional ≤ 10μM |
| Z50607 | Z50607 | Human Immunodeficiency Virus 1 | 240 | 0.49 | Functional ≤ 10μM |
| Z50609 | Z50609 | Simian Immunodeficiency Virus | 3000 | 0.41 | Functional ≤ 10μM |
