| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 16th, 2008 | 12 | No |
Popular Name: ethyl ethyl
| 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 | 1.53 | -6.06 | 0 | 5 | 0 | 54 | 193.634 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80488-3-O | SK-MEL-5 (Melanoma Cells) (cluster #3 Of 3), Other | Other | 10000 | 0.58 | Functional ≤ 10μM |
| Z80560-3-O | U-251 (Glioma Cells) (cluster #3 Of 3), Other | Other | 8000 | 0.59 | Functional ≤ 10μM |
| Z81184-4-O | LOX IMVI (Melanoma Cells) (cluster #4 Of 5), Other | Other | 2400 | 0.66 | Functional ≤ 10μM |
| Z81190-2-O | NCI-H520 (cluster #2 Of 2), Other | Other | 10000 | 0.58 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81184 | Z81184 | LOX IMVI (Melanoma Cells) | 2400 | 0.66 | Functional ≤ 10μM |
| Z81190 | Z81190 | NCI-H520 | 10000 | 0.58 | Functional ≤ 10μM |
| Z80488 | Z80488 | SK-MEL-5 (Melanoma Cells) | 10000 | 0.58 | Functional ≤ 10μM |
| Z80560 | Z80560 | U-251 (Glioma Cells) | 8000 | 0.59 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.