| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 1st, 2009 | 22 | Yes |
Popular Name: (2S)-2-(2,4-difluorophenyl)-N,N-diethyl-2-(4-methylpiperazin-1-yl)ethanamine (2S)-2-(2,4-difluorophenyl)-N,N-…
| 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) | 2.85 | 10.11 | -95.18 | 2 | 3 | 2 | 12 | 313.436 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.85 | 7.65 | -32.76 | 1 | 3 | 1 | 11 | 312.428 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MC4R-1-E | Melanocortin Receptor 4 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 100 | 0.45 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MC4R_HUMAN | P32245 | Melanocortin Receptor 4, Human | 100 | 0.45 | Binding ≤ 1μM |
| MC4R_HUMAN | P32245 | Melanocortin Receptor 4, Human | 100 | 0.45 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (s) signalling events | |
| Peptide ligand-binding receptors |
