| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 18th, 2006 | 28 | No |
Popular Name: N-(2,3,4,5,6,7,8,8a-octahydro-1H-quinolizin-1-ylmethyl)-2,3-dimethyl-4-phenylazo-aniline N-(2,3,4,5,6,7,8,8a-octahydro-1H…
| 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) | 6.44 | 0.68 | -41.26 | 2 | 4 | 1 | 41 | 377.556 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z100497-3-O | Bovine Viral Diarrhea Virus (cluster #3 Of 3), Other | Other | 2500 | 0.28 | Functional ≤ 10μM |
| Z50642-1-O | Yellow Fever Virus (cluster #1 Of 1), Other | Other | 9000 | 0.25 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z100497 | Z100497 | Bovine Viral Diarrhea Virus | 2500 | 0.28 | Functional ≤ 10μM |
| Z50642 | Z50642 | Yellow Fever Virus | 9000 | 0.25 | Functional ≤ 10μM |
