| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 5th, 2008 | 27 | Yes |
Popular Name: (4S)-8-[1-(4-fluorophenyl)cyclohexyl]-4-propyl-2,8-diazaspiro[4.5]decan-1-one (4S)-8-[1-(4-fluorophenyl)cycloh…
| 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) | 5.33 | 10.33 | -36.36 | 2 | 3 | 1 | 34 | 373.536 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OPRM-1-E | Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 3030 | 0.29 | Binding ≤ 10μM |
| SC6A9-1-E | Glycine Transporter 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 93 | 0.36 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SC6A9_HUMAN | P48067 | Glycine Transporter 1, Human | 93 | 0.36 | Binding ≤ 1μM |
| SC6A9_HUMAN | P48067 | Glycine Transporter 1, Human | 93 | 0.36 | Binding ≤ 10μM |
| OPRM_HUMAN | P35372 | Mu Opioid Receptor, Human | 3030 | 0.29 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G-protein activation | |
| Na+/Cl- dependent neurotransmitter transporters | |
| Opioid Signalling | |
| Peptide ligand-binding receptors |
