| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 15 | Yes |
Popular Name: Dibenzyl ether Dibenzyl ether
Find On: PubMed — Wikipedia — Google
CAS Numbers: 103-16-2 , 103-50-4 , [103-50-4]
| 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) | 3.49 | 8.23 | -4.64 | 0 | 1 | 0 | 9 | 198.265 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 1.5 - 3.5 | Acros Organics |
| BP [°C] | 298 | Acros Organics |
| Boiling_Point | 298? | Alfa-Aesar |
| Boiling_Point | 298° | Alfa-Aesar |
| Melting_Point | 3-4? | Alfa-Aesar |
| Melting_Point | 3-4° | Alfa-Aesar |
| Purity | 95% | Fluorochem |
| H phrase | H410: Very toxic to aquatic life with long lasting effects | Acros Organics |
| Hazard | N: Dangerous for the environment | Acros Organics |
| P phrase | P273: Avoid release to the environment; P391: Collect spillage; P501: Dispose of contents/container to an approved waste disposal plant | Acros Organics |
| R phrase | R50/53: Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. | Acros Organics |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OPRD-3-E | Delta Opioid Receptor (cluster #3 Of 3), Eukaryotic | Eukaryotes | 3 | 0.80 | Binding ≤ 10μM |
| OPRK-2-E | Kappa Opioid Receptor (cluster #2 Of 6), Eukaryotic | Eukaryotes | 3 | 0.80 | Binding ≤ 10μM |
| OPRM-1-E | Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 3 | 0.80 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OPRD_HUMAN | P41143 | Delta Opioid Receptor, Human | 2.9 | 0.80 | Binding ≤ 1μM |
| OPRK_HUMAN | P41145 | Kappa Opioid Receptor, Human | 2 | 0.81 | Binding ≤ 1μM |
| OPRM_HUMAN | P35372 | Mu Opioid Receptor, Human | 2.4 | 0.80 | Binding ≤ 1μM |
| OPRD_HUMAN | P41143 | Delta Opioid Receptor, Human | 2.9 | 0.80 | Binding ≤ 10μM |
| OPRK_HUMAN | P41145 | Kappa Opioid Receptor, Human | 2 | 0.81 | Binding ≤ 10μM |
| OPRM_HUMAN | P35372 | Mu Opioid Receptor, Human | 2.4 | 0.80 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G-protein activation | |
| Opioid Signalling | |
| Peptide ligand-binding receptors |
