| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 32 | Yes |
Popular Name: 4-butyl-N-[2-(4-ethylpiperazin-1-yl)-4-methyl-6-quinolyl]benzamide 4-butyl-N-[2-(4-ethylpiperazin-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) | 6.06 | 14.56 | -46.22 | 2 | 5 | 1 | 50 | 431.604 | 7 | ↓ |
| Hi High (pH 8-9.5) | 6.06 | 12.34 | -13.49 | 1 | 5 | 0 | 48 | 430.596 | 7 | ↓ |
| Mid Mid (pH 6-8) | 6.06 | 12.67 | -30.17 | 2 | 5 | 1 | 50 | 431.604 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MCHR1-1-E | Melanin-concentrating Hormone Receptor 1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 114 | 0.30 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MCHR1_HUMAN | Q99705 | Melanin-concentrating Hormone Receptor 1, Human | 114 | 0.30 | Binding ≤ 1μM |
| MCHR1_HUMAN | Q99705 | Melanin-concentrating Hormone Receptor 1, Human | 114 | 0.30 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| Peptide ligand-binding receptors |
