| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2007 | 25 | Yes |
Popular Name: 4-benzyl-3-benzylsulfanyl-5-(2-thienyl)-1,2,4-triazole 4-benzyl-3-benzylsulfanyl-5-(2-t…
| 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) | 5.47 | 1.49 | -10.21 | 0 | 3 | 0 | 30 | 363.511 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50607-1-O | Human Immunodeficiency Virus 1 (cluster #1 Of 10), Other | Other | 3700 | 0.30 | Functional ≤ 10μM |
| Z50677-1-O | Human Immunodeficiency Virus (cluster #1 Of 3), Other | Other | 4400 | 0.30 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50677 | Z50677 | Human Immunodeficiency Virus | 4400 | 0.30 | Functional ≤ 10μM |
| Z50607 | Z50607 | Human Immunodeficiency Virus 1 | 3700 | 0.30 | Functional ≤ 10μM |
