| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 10th, 2009 | 31 | Yes |
Popular Name: 1-[1-(4-isopropoxy-2-methoxy-benzoyl)-4-piperidyl]-4H-3,1-benzoxazin-2-one 1-[1-(4-isopropoxy-2-methoxy-ben…
| 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) | 3.98 | 9.86 | -21.89 | 0 | 7 | 0 | 68 | 424.497 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OXYR-1-E | Oxytocin Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 17 | 0.35 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OXYR_HUMAN | P30559 | Oxytocin Receptor, Human | 17 | 0.35 | Binding ≤ 1μM |
| OXYR_HUMAN | P30559 | Oxytocin Receptor, Human | 17 | 0.35 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Vasopressin-like receptors |
