| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 19th, 2009 | 40 | Yes |
Popular Name: 2,4-bis(1,5,8,12-tetrazacyclotetradec-1-ylmethyl)quinoline 2,4-bis(1,5,8,12-tetrazacyclotet…
| 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) | -0.35 | 2.92 | -184.49 | 9 | 9 | 3 | 102 | 556.868 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.35 | 3.22 | -176.69 | 9 | 9 | 3 | 102 | 556.868 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50607-3-O | Human Immunodeficiency Virus 1 (cluster #3 Of 10), Other | Other | 3772 | 0.19 | Functional ≤ 10μM |
| Z50658-1-O | Human Immunodeficiency Virus 2 (cluster #1 Of 4), Other | Other | 4274 | 0.19 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50607 | Z50607 | Human Immunodeficiency Virus 1 | 3771.6 | 0.19 | Functional ≤ 10μM |
| Z50658 | Z50658 | Human Immunodeficiency Virus 2 | 4274.4 | 0.19 | Functional ≤ 10μM |
