| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 5th, 2009 | 35 | Yes |
Popular Name: 1-methyl-4-[(1S)-2-[4-[4-(1-naphthyl)butyl]piperazin-1-yl]-1-phenyl-ethyl]piperazine 1-methyl-4-[(1S)-2-[4-[4-(1-naph…
| 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) | 5.49 | 18.32 | -102.58 | 2 | 4 | 2 | 15 | 472.721 | 9 | ↓ |
| Hi High (pH 8-9.5) | 5.49 | 13.47 | -4.39 | 0 | 4 | 0 | 13 | 470.705 | 9 | ↓ |
| Mid Mid (pH 6-8) | 5.49 | 16.21 | -108.33 | 2 | 4 | 2 | 15 | 472.721 | 9 | ↓ |
| Mid Mid (pH 6-8) | 5.49 | 15.86 | -41.74 | 1 | 4 | 1 | 14 | 471.713 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MC4R-1-E | Melanocortin Receptor 4 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 745 | 0.25 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MC4R_HUMAN | P32245 | Melanocortin Receptor 4, Human | 745 | 0.25 | Binding ≤ 1μM |
| MC4R_HUMAN | P32245 | Melanocortin Receptor 4, Human | 745 | 0.25 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (s) signalling events | |
| Peptide ligand-binding receptors |
