| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 26th, 2004 | 27 | No |
Popular Name: (4S)-2-amino-7-(dimethylamino)-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-chromene-3-carbonitrile (4S)-2-amino-7-(dimethylamino)-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) | 2.50 | 4.67 | -12.44 | 2 | 7 | 0 | 90 | 365.389 | 3 | ↓ |
| 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 | 83 | 0.37 | Functional ≤ 10μM |
| Z80712-2-O | T47D (Breast Carcinoma Cells) (cluster #2 Of 7), Other | Other | 730 | 0.32 | Functional ≤ 10μM |
| Z80877-2-O | NCI-H1299 (Non-small Cell Lung Carcinoma) (cluster #2 Of 2), Other | Other | 93 | 0.36 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80120 | Z80120 | DLD-1 (Colon Adenocarcinoma Cells) | 83 | 0.37 | Functional ≤ 10μM |
| Z80877 | Z80877 | NCI-H1299 (Non-small Cell Lung Carcinoma) | 93 | 0.36 | Functional ≤ 10μM |
| Z80712 | Z80712 | T47D (Breast Carcinoma Cells) | 73 | 0.37 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.