| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 11th, 2007 | 33 | Yes |
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) | 6.19 | -3.02 | -14.6 | 3 | 6 | 0 | 83 | 441.531 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NK2R-1-E | Neurokinin 2 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3270 | 0.23 | Binding ≤ 10μM |
| NMBR-1-E | Neuromedin B Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2600 | 0.24 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NK2R_HUMAN | P21452 | Neurokinin 2 Receptor, Human | 3270 | 0.23 | Binding ≤ 10μM |
| NMBR_HUMAN | P28336 | Neuromedin B Receptor, Human | 2600 | 0.24 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Peptide ligand-binding receptors | |
| Tachykinin receptors bind tachykinins |
