In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 38 | Yes |
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 |
---|---|---|---|---|---|---|---|---|---|---|
Hi High (pH 8-9.5) | 4.60 | 9.6 | -145.33 | 5 | 6 | 2 | 68 | 520.762 | 15 | ↓ |
Hi High (pH 8-9.5) | 4.60 | 8.39 | -6.78 | 3 | 6 | 0 | 62 | 518.746 | 15 | ↓ |
Hi High (pH 8-9.5) | 4.60 | 9.46 | -55.76 | 4 | 6 | 1 | 67 | 519.754 | 15 | ↓ |
Mid Mid (pH 6-8) | 4.60 | 12.1 | -119.29 | 5 | 6 | 2 | 65 | 520.762 | 15 | ↓ |
Mid Mid (pH 6-8) | 4.60 | 11.67 | -214.49 | 6 | 6 | 3 | 69 | 521.77 | 15 | ↓ |
Mid Mid (pH 6-8) | 4.60 | 10.45 | -99.81 | 5 | 6 | 2 | 68 | 520.762 | 15 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
OPRM-1-E | Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 876 | 0.22 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 876 | 0.22 | Binding ≤ 1μM |
OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 876 | 0.22 | Binding ≤ 10μM |
Description | Species |
---|---|
G alpha (i) signalling events | |
G-protein activation | |
Opioid Signalling | |
Peptide ligand-binding receptors |