| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2009 | 44 | No |
Popular Name: benzyl benzyl
| 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) | 5.77 | 19.1 | -29.24 | 0 | 8 | 0 | 93 | 586.644 | 11 | ↓ |
| Mid Mid (pH 6-8) | 5.61 | 18.72 | -67.16 | 0 | 8 | -1 | 99 | 585.636 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| V1AR-1-E | Vasopressin V1a Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 100 | 0.22 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| V1AR_HUMAN | P37288 | Vasopressin V1a Receptor, Human | 100 | 0.22 | Binding ≤ 1μM |
| V1AR_HUMAN | P37288 | Vasopressin V1a Receptor, Human | 100 | 0.22 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Vasopressin-like receptors |
![3-keto-2-[2-keto-3-(2-keto-4-phenyl-oxazolidin-3-yl)-4-styryl-azetidin-1-yl]-3-phenyl-propionic Acid Benzyl Ester](http://zinc12.docking.org/img/rings/68579.gif)
