| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 5th, 2009 | 36 | Yes |
Popular Name: 1-[(2R)-2-(4-methylpiperazin-1-yl)-2-(p-tolyl)ethyl]-4-[4-(1-naphthyl)butyl]piperazine 1-[(2R)-2-(4-methylpiperazin-1-y…
| 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) | 5.94 | 16.13 | -91.91 | 2 | 4 | 2 | 15 | 486.748 | 9 | ↓ |
| Hi High (pH 8-9.5) | 5.94 | 11.35 | -5.21 | 0 | 4 | 0 | 13 | 484.732 | 9 | ↓ |
| Mid Mid (pH 6-8) | 5.94 | 15.89 | -106.58 | 2 | 4 | 2 | 15 | 486.748 | 9 | ↓ |
| Mid Mid (pH 6-8) | 5.94 | 13.66 | -42.16 | 1 | 4 | 1 | 14 | 485.74 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MC4R-1-E | Melanocortin Receptor 4 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 296 | 0.25 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MC4R_HUMAN | P32245 | Melanocortin Receptor 4, Human | 296 | 0.25 | Binding ≤ 1μM |
| MC4R_HUMAN | P32245 | Melanocortin Receptor 4, Human | 296 | 0.25 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (s) signalling events | |
| Peptide ligand-binding receptors |
