In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 42 | No |
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 |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | -4.19 | 0.49 | -143.98 | 15 | 14 | 2 | 269 | 586.694 | 17 | ↓ |
Hi High (pH 8-9.5) | -4.19 | -0.16 | -73.04 | 13 | 14 | 0 | 266 | 584.678 | 17 | ↓ |
Mid Mid (pH 6-8) | -4.19 | 0.17 | -78.78 | 14 | 14 | 1 | 267 | 585.686 | 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 | 6 | 0.27 | Binding ≤ 10μM |
Z50512-1-O | Cavia Porcellus (cluster #1 Of 7), Other | Other | 257 | 0.22 | Functional ≤ 10μM |
Z50594-4-O | Mus Musculus (cluster #4 Of 9), Other | Other | 659 | 0.21 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 5.78 | 0.27 | Binding ≤ 1μM |
OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 5.78 | 0.27 | Binding ≤ 10μM |
Z50512 | Z50512 | Cavia Porcellus | 257 | 0.22 | Functional ≤ 10μM |
Z50594 | Z50594 | Mus Musculus | 659 | 0.21 | Functional ≤ 10μM |
Description | Species |
---|---|
G alpha (i) signalling events | |
G-protein activation | |
Opioid Signalling | |
Peptide ligand-binding receptors |