| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 31st, 2009 | 28 | Yes |
Popular Name: N-benzyl-6-bromo-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-amine N-benzyl-6-bromo-2-(2,5-dimethox…
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) | 5.16 | 11.28 | -10.45 | 1 | 5 | 0 | 48 | 438.325 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 5.16 | 11.58 | -25.66 | 2 | 5 | 1 | 49 | 439.333 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80054-1-O | Caco-2 (Colon Adenocarcinoma Cells) (cluster #1 Of 4), Other | Other | 6430 | 0.26 | Functional ≤ 10μM |
| Z80166-1-O | HT-29 (Colon Adenocarcinoma Cells) (cluster #1 Of 12), Other | Other | 6570 | 0.26 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80054 | Z80054 | Caco-2 (Colon Adenocarcinoma Cells) | 6430 | 0.26 | Functional ≤ 10μM |
| Z80166 | Z80166 | HT-29 (Colon Adenocarcinoma Cells) | 6570 | 0.26 | Functional ≤ 10μM |
