| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2011 | 24 | Yes |
Popular Name: 3-(3,4-dimethoxyphenyl)-N5,N5-dimethyl-isoquinoline-1,5-diamine 3-(3,4-dimethoxyphenyl)-N5,N5-di…
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) | 3.25 | 8.25 | -32.51 | 3 | 5 | 1 | 62 | 324.404 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.25 | 7.9 | -11.16 | 2 | 5 | 0 | 61 | 323.396 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80682-1-O | A549 (Lung Carcinoma Cells) (cluster #1 Of 11), Other | Other | 10000 | 0.29 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80682 | Z80682 | A549 (Lung Carcinoma Cells) | 10000 | 0.29 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.
