| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2008 | 30 | No |
Popular Name: 2-(benzenesulfonyl-phenyl-amino)-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide 2-(benzenesulfonyl-phenyl-amino)…
| 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) | 3.88 | 6.62 | -18.83 | 2 | 7 | 0 | 99 | 423.494 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.88 | 7.4 | -62.3 | 1 | 7 | -1 | 102 | 422.486 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.88 | 6.87 | -49.85 | 1 | 7 | -1 | 102 | 422.486 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OXYR-1-E | Oxytocin Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 237 | 0.31 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OXYR_HUMAN | P30559 | Oxytocin Receptor, Human | 237 | 0.31 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Vasopressin-like receptors |
