| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2010 | 35 | No |
Popular Name: 3-(diphenylmethylene)-1-{2-[4-(4-fluorophenyl)-1-piperazinyl]ethyl}-2,5-pyrrolidinedione 3-(diphenylmethylene)-1-{2-[4-(4…
| 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) | 4.29 | 13.51 | -10.18 | 0 | 5 | 0 | 44 | 469.56 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104304-1-O | Adrenergic Receptor Alpha-1 (cluster #1 Of 3), Other | Other | 529 | 0.25 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104304 | Z104304 | Adrenergic Receptor Alpha-1 | 529 | 0.25 | Binding ≤ 1μM |
| Z104304 | Z104304 | Adrenergic Receptor Alpha-1 | 529 | 0.25 | Binding ≤ 10μM |
