| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 20th, 2005 | 25 | No |
Popular Name: 9-(3-nitrophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione 9-(3-nitrophenyl)-2,3,4,5,6,7,9,…
| 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) | 3.79 | 8.99 | -50.83 | 0 | 6 | -1 | 98 | 337.355 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.37 | -1.62 | -17.11 | 0 | 6 | 0 | 92 | 338.363 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50512-1-O | Cavia Porcellus (cluster #1 Of 7), Other | Other | 4440 | 0.30 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50512 | Z50512 | Cavia Porcellus | 100 | 0.39 | Functional ≤ 10μM |
