| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2005 | 24 | Yes |
Popular Name: 3-bromo-8-(2-chlorophenyl)-N-cyclohexyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-amine 3-bromo-8-(2-chlorophenyl)-N-cyc…
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) | 6.25 | -1.45 | -7.27 | 1 | 3 | 0 | 29 | 404.739 | 3 | ↓ |
| Mid Mid (pH 6-8) | 6.25 | -1.25 | -22.66 | 2 | 3 | 1 | 30 | 405.747 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50607-1-O | Human Immunodeficiency Virus 1 (cluster #1 Of 10), Other | Other | 2190 | 0.33 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50607 | Z50607 | Human Immunodeficiency Virus 1 | 2190 | 0.33 | Functional ≤ 10μM |
