| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 5th, 2009 | 36 | Yes |
Popular Name: 1-[(2R)-2-(4-fluorophenyl)-2-(1-methyl-4-piperidyl)ethyl]-4-[4-(1-naphthyl)butyl]piperazine 1-[(2R)-2-(4-fluorophenyl)-2-(1-…
| 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) | 7.02 | 18.61 | -96.91 | 2 | 3 | 2 | 12 | 489.723 | 9 | ↓ |
| Hi High (pH 8-9.5) | 7.02 | 16.3 | -43.49 | 1 | 3 | 1 | 11 | 488.715 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MC4R-1-E | Melanocortin Receptor 4 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 333 | 0.25 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MC4R_HUMAN | P32245 | Melanocortin Receptor 4, Human | 333 | 0.25 | Binding ≤ 1μM |
| MC4R_HUMAN | P32245 | Melanocortin Receptor 4, Human | 333 | 0.25 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (s) signalling events | |
| Peptide ligand-binding receptors |
