| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 18th, 2009 | 38 | 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) | 1.81 | 6.66 | -74.85 | 4 | 8 | 1 | 128 | 566.81 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.81 | 6.33 | -32.79 | 3 | 8 | 0 | 127 | 565.802 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OXYR-1-E | Oxytocin Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 12 | 0.29 | Binding ≤ 10μM |
| V1AR-1-E | Vasopressin V1a Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 890 | 0.22 | Binding ≤ 10μM |
| V2R-1-E | Vasopressin V2 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2400 | 0.21 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OXYR_RAT | P70536 | Oxytocin Receptor, Rat | 12 | 0.29 | Binding ≤ 1μM |
| V1AR_RAT | P30560 | Vasopressin V1a Receptor, Rat | 890 | 0.22 | Binding ≤ 1μM |
| OXYR_RAT | P70536 | Oxytocin Receptor, Rat | 12 | 0.29 | Binding ≤ 10μM |
| V1AR_RAT | P30560 | Vasopressin V1a Receptor, Rat | 890 | 0.22 | Binding ≤ 10μM |
| V2R_RAT | Q00788 | Vasopressin V2 Receptor, Rat | 2400 | 0.21 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| G alpha (s) signalling events | |
| Vasopressin regulates renal water homeostasis via Aquaporins | |
| Vasopressin-like receptors |
