| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 29th, 2008 | 33 | Yes |
Popular Name: [[(1S)-1-acetoxy-3-methyl-butyl]-methoxy-methyl-oxo-BLAHyl] [[(1S)-1-acetoxy-3-methyl-butyl]…
| 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) | 4.61 | 13.49 | -21.25 | 0 | 8 | 0 | 97 | 456.491 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OXYR-1-E | Oxytocin Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5000 | 0.22 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OXYR_RAT | P70536 | Oxytocin Receptor, Rat | 5000 | 0.22 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Vasopressin-like receptors |
