| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 11th, 2009 | 22 | Yes |
Popular Name: N-methyl-N-[(1S)-2-methyl-1-(pyrrolidin-1-ylmethyl)propyl]-3-phenyl-propanamide N-methyl-N-[(1S)-2-methyl-1-(pyr…
| 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) | 3.53 | 12.34 | -37.17 | 1 | 3 | 1 | 25 | 303.47 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.53 | 9.53 | -6.11 | 0 | 3 | 0 | 24 | 302.462 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OPRK-4-E | Kappa Opioid Receptor (cluster #4 Of 6), Eukaryotic | Eukaryotes | 420 | 0.41 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OPRK_HUMAN | P41145 | Kappa Opioid Receptor, Human | 420 | 0.41 | Binding ≤ 1μM |
| OPRK_HUMAN | P41145 | Kappa Opioid Receptor, Human | 420 | 0.41 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| Peptide ligand-binding receptors |
