| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 25 | Yes |
Popular Name: 4-[(2S)-3-[[(1S)-1-(aminomethyl)-2-(4-hydroxyphenyl)ethyl]amino]-2-(ethylamino)propyl]phenol 4-[(2S)-3-[[(1S)-1-(aminomethyl)…
| 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) | 1.69 | 2.69 | -273.51 | 9 | 5 | 3 | 101 | 346.495 | 10 | ↓ |
| Hi High (pH 8-9.5) | 1.69 | 0.09 | -6.69 | 6 | 5 | 0 | 91 | 343.471 | 10 | ↓ |
| Hi High (pH 8-9.5) | 1.69 | 0.48 | -56.77 | 7 | 5 | 1 | 92 | 344.479 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OPRM-1-E | Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 344 | 0.36 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 344 | 0.36 | Binding ≤ 1μM |
| OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 344 | 0.36 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G-protein activation | |
| Opioid Signalling | |
| Peptide ligand-binding receptors |
