| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 22nd, 2009 | 32 | Yes |
Popular Name: ethyl-hydroxy-[2-(2-hydroxyethylamino)ethyl]BLAHdione ethyl-hydroxy-[2-(2-hydroxyethyl…
| 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) | 1.24 | 4.66 | -61.74 | 4 | 8 | 1 | 118 | 436.488 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.24 | 3.17 | -15.79 | 3 | 8 | 0 | 114 | 435.48 | 6 | ↓ |
| 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 | 8790 | 0.22 | Functional ≤ 10μM |
| Z80751-1-O | Caov-3 Cell Line (cluster #1 Of 1), Other | Other | 4630 | 0.23 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80751 | Z80751 | Caov-3 Cell Line | 4630 | 0.23 | Functional ≤ 10μM |
| Z80120 | Z80120 | DLD-1 (Colon Adenocarcinoma Cells) | 8790 | 0.22 | Functional ≤ 10μM |
