| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 7th, 2009 | 29 | No |
Popular Name: (4S)-2-amino-7-(diethylamino)-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-chromene-3-carbonitrile (4S)-2-amino-7-(diethylamino)-4-…
| 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 | 6.56 | -11.97 | 2 | 7 | 0 | 90 | 393.443 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80712-2-O | T47D (Breast Carcinoma Cells) (cluster #2 Of 7), Other | Other | 480 | 0.31 | Functional ≤ 10μM |
| Z80877-2-O | NCI-H1299 (Non-small Cell Lung Carcinoma) (cluster #2 Of 2), Other | Other | 530 | 0.30 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80877 | Z80877 | NCI-H1299 (Non-small Cell Lung Carcinoma) | 530 | 0.30 | Functional ≤ 10μM |
| Z80712 | Z80712 | T47D (Breast Carcinoma Cells) | 480 | 0.31 | Functional ≤ 10μM |
