| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 15th, 2009 | 33 | Yes |
Popular Name: ethyl ethyl
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) | 2.89 | 9.55 | -15.49 | 1 | 8 | 0 | 108 | 448.475 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81024-1-O | NCI-H460 (Non-small Cell Lung Carcinoma) (cluster #1 Of 8), Other | Other | 60 | 0.31 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81024 | Z81024 | NCI-H460 (Non-small Cell Lung Carcinoma) | 60 | 0.31 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.
