| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 31st, 2010 | 28 | No |
Popular Name: (2-diethylaminoethylamino)-(2-dimethylaminoethyl)BLAHdione (2-diethylaminoethylamino)-(2-di…
| 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) | 2.68 | 10.5 | -85.32 | 3 | 6 | 2 | 60 | 384.524 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.68 | 8.4 | -34.19 | 2 | 6 | 1 | 59 | 383.516 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80166-4-O | HT-29 (Colon Adenocarcinoma Cells) (cluster #4 Of 12), Other | Other | 2100 | 0.28 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80166 | Z80166 | HT-29 (Colon Adenocarcinoma Cells) | 2100 | 0.28 | Functional ≤ 10μM |
