| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 1st, 2009 | 22 | Yes |
Popular Name: (2S)-N,N-diethyl-2-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanamine (2S)-N,N-diethyl-2-(2-methoxyphe…
| 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) | 2.61 | 7.91 | -84.79 | 2 | 4 | 2 | 21 | 307.482 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.61 | 5.44 | -31.84 | 1 | 4 | 1 | 20 | 306.474 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MC4R-1-E | Melanocortin Receptor 4 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 190 | 0.43 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MC4R_HUMAN | P32245 | Melanocortin Receptor 4, Human | 190 | 0.43 | Binding ≤ 1μM |
| MC4R_HUMAN | P32245 | Melanocortin Receptor 4, Human | 190 | 0.43 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (s) signalling events | |
| Peptide ligand-binding receptors |
