| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 26th, 2009 | 36 | No |
Popular Name: ethyl-hydroxy-[2-(3-methylpyridin-1-ium-1-yl)ethoxy]BLAHdione ethyl-hydroxy-[2-(3-methylpyridi…
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) | -1.36 | 10.99 | -46.7 | 1 | 8 | 1 | 95 | 484.532 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81115-2-O | KB (Squamous Cell Carcinoma) (cluster #2 Of 6), Other | Other | 1300 | 0.23 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81115 | Z81115 | KB (Squamous Cell Carcinoma) | 1300 | 0.23 | Functional ≤ 10μM |
