| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 28th, 2007 | 22 | No |
Popular Name: 2-amino-7-dimethylamino-4-(3-pyridyl)-4H-chromene-3-carbonitrile 2-amino-7-dimethylamino-4-(3-pyr…
| 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) | 1.58 | -0.38 | -9.32 | 2 | 5 | 0 | 75 | 292.342 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80120-1-O | DLD-1 (Colon Adenocarcinoma Cells) (cluster #1 Of 5), Other | Other | 123 | 0.44 | Functional ≤ 10μM |
| Z80712-2-O | T47D (Breast Carcinoma Cells) (cluster #2 Of 7), Other | Other | 68 | 0.46 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80120 | Z80120 | DLD-1 (Colon Adenocarcinoma Cells) | 123 | 0.44 | Functional ≤ 10μM |
| Z80712 | Z80712 | T47D (Breast Carcinoma Cells) | 68 | 0.46 | Functional ≤ 10μM |
