| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2009 | 44 | 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) | 2.16 | 15.01 | -88.8 | 1 | 10 | 1 | 98 | 605.687 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.16 | 12.87 | -39.39 | 0 | 10 | 0 | 97 | 604.679 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OXYR-1-E | Oxytocin Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5 | 0.26 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OXYR_RAT | P70536 | Oxytocin Receptor, Rat | 5.1 | 0.26 | Binding ≤ 1μM |
| OXYR_HUMAN | P30559 | Oxytocin Receptor, Human | 1.1 | 0.29 | Binding ≤ 1μM |
| OXYR_RAT | P70536 | Oxytocin Receptor, Rat | 5.1 | 0.26 | Binding ≤ 10μM |
| OXYR_HUMAN | P30559 | Oxytocin Receptor, Human | 1.1 | 0.29 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Vasopressin-like receptors |
