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) | 0.92 | 4.44 | -69 | 7 | 10 | 1 | 155 | 572.686 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.92 | 4.15 | -34.13 | 6 | 10 | 0 | 154 | 571.678 | 6 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
OPRD-1-E | Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 28 | 0.25 | Binding ≤ 10μM |
OPRM-1-E | Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 3 | 0.28 | Binding ≤ 10μM |
Z50512-1-O | Cavia Porcellus (cluster #1 Of 7), Other | Other | 12 | 0.26 | Functional ≤ 10μM |
Z50594-1-O | Mus Musculus (cluster #1 Of 9), Other | Other | 32 | 0.25 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
OPRD_RAT | P33533 | Delta Opioid Receptor, Rat | 28.3 | 0.25 | Binding ≤ 1μM |
OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 2.74 | 0.29 | Binding ≤ 1μM |
OPRD_RAT | P33533 | Delta Opioid Receptor, Rat | 28.3 | 0.25 | Binding ≤ 10μM |
OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 2.74 | 0.29 | Binding ≤ 10μM |
Z50512 | Z50512 | Cavia Porcellus | 11.8 | 0.26 | Functional ≤ 10μM |
Z50594 | Z50594 | Mus Musculus | 32.2 | 0.25 | Functional ≤ 10μM |
Description | Species |
---|---|
G alpha (i) signalling events | |
G-protein activation | |
Opioid Signalling | |
Peptide ligand-binding receptors |
No pre-computed analogs available. Try a structural similarity search.