In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 35 | Yes |
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) | 3.26 | 6.14 | -277.41 | 10 | 6 | 3 | 113 | 479.689 | 15 | ↓ |
Hi High (pH 8-9.5) | 3.26 | 4.12 | -56.23 | 8 | 6 | 1 | 104 | 477.673 | 15 | ↓ |
Hi High (pH 8-9.5) | 3.26 | 5.03 | -133.36 | 9 | 6 | 2 | 109 | 478.681 | 15 | ↓ |
Mid Mid (pH 6-8) | 3.26 | 5.68 | -113.7 | 9 | 6 | 2 | 112 | 478.681 | 15 | ↓ |
Mid Mid (pH 6-8) | 3.26 | 6.12 | -252.63 | 10 | 6 | 3 | 113 | 479.689 | 15 | ↓ |
Mid Mid (pH 6-8) | 3.26 | 4.62 | -143.22 | 9 | 6 | 2 | 109 | 478.681 | 15 | ↓ |
Lo Low (pH 4.5-6) | 3.26 | 7.21 | -451.91 | 11 | 6 | 4 | 118 | 480.697 | 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 | 47 | 0.29 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 47 | 0.29 | Binding ≤ 1μM |
OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 47 | 0.29 | Binding ≤ 10μM |
Description | Species |
---|---|
G alpha (i) signalling events | |
G-protein activation | |
Opioid Signalling | |
Peptide ligand-binding receptors |