| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2008 | 23 | No |
Popular Name: (5E)-2-amino-5-benzylidene-4,6-dimethyl-cyclopenta[e]pyridine-3,7-dicarbonitrile (5E)-2-amino-5-benzylidene-4,6-d…
| 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) | 3.46 | 8.83 | -12.2 | 2 | 4 | 0 | 86 | 298.349 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80015-1-O | A2058 (Melanoma Cells) (cluster #1 Of 2), Other | Other | 8500 | 0.31 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80015 | Z80015 | A2058 (Melanoma Cells) | 8500 | 0.31 | Functional ≤ 10μM |
