In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 42 | No |
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) | 3.20 | 5.18 | -209.82 | 11 | 8 | 3 | 137 | 578.822 | 17 | ↓ |
Hi High (pH 8-9.5) | 3.20 | 4.06 | -105.52 | 10 | 8 | 2 | 132 | 577.814 | 17 | ↓ |
Hi High (pH 8-9.5) | 3.20 | 3.19 | -53.53 | 9 | 8 | 1 | 128 | 576.806 | 17 | ↓ |
Hi High (pH 8-9.5) | 3.20 | 3.93 | -135.32 | 10 | 8 | 2 | 132 | 577.814 | 17 | ↓ |
Mid Mid (pH 6-8) | 3.20 | 5.5 | -200.38 | 11 | 8 | 3 | 133 | 578.822 | 17 | ↓ |
Mid Mid (pH 6-8) | 3.20 | 6.48 | -338.82 | 12 | 8 | 4 | 138 | 579.83 | 17 | ↓ |
Mid Mid (pH 6-8) | 3.20 | 6.63 | -357.16 | 12 | 8 | 4 | 138 | 579.83 | 17 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
OPRM-1-E | Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 13 | 0.26 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 13 | 0.26 | Binding ≤ 1μM |
OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 13 | 0.26 | Binding ≤ 10μM |
Description | Species |
---|---|
G alpha (i) signalling events | |
G-protein activation | |
Opioid Signalling | |
Peptide ligand-binding receptors |