| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 28th, 2010 | 27 | Yes |
Popular Name: (2R)-N-benzyl-2-[(3R)-4-isopentyl-3-isopropyl-piperazin-1-yl]-3-methyl-butan-1-amine (2R)-N-benzyl-2-[(3R)-4-isopenty…
None
| 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) | 5.29 | 12.52 | -30.25 | 2 | 3 | 1 | 20 | 374.637 | 10 | ↓ |
| Hi High (pH 8-9.5) | 5.29 | 11.01 | -40.1 | 2 | 3 | 1 | 23 | 374.637 | 10 | ↓ |
| Mid Mid (pH 6-8) | 5.29 | 12.15 | -99.52 | 3 | 3 | 2 | 24 | 375.645 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 5.29 | 14.07 | -107.27 | 3 | 3 | 2 | 21 | 375.645 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OPRK-4-E | Kappa Opioid Receptor (cluster #4 Of 6), Eukaryotic | Eukaryotes | 1000 | 0.31 | Binding ≤ 10μM |
| OPRM-1-E | Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 1000 | 0.31 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OPRK_CAVPO | P41144 | Kappa Opioid Receptor, Guinea Pig | 1000 | 0.31 | Binding ≤ 1μM |
| OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 1000 | 0.31 | Binding ≤ 1μM |
| OPRK_CAVPO | P41144 | Kappa Opioid Receptor, Guinea Pig | 1000 | 0.31 | Binding ≤ 10μM |
| OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 1000 | 0.31 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G-protein activation | |
| Opioid Signalling | |
| Peptide ligand-binding receptors |
