| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 11th, 2009 | 22 | No |
Popular Name: 3-acetonyl-8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one 3-acetonyl-8-methyl-1-phenyl-1,3…
| 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) | 1.27 | 7 | -39.65 | 1 | 5 | 1 | 45 | 302.398 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.27 | 4.61 | -11.74 | 0 | 5 | 0 | 44 | 301.39 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| BKRB2-1-E | Bradykinin B2 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 8 | 0.52 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| BKRB2_HUMAN | P30411 | Bradykinin B2 Receptor, Human | 7.7 | 0.52 | Binding ≤ 1μM |
| BKRB2_HUMAN | P30411 | Bradykinin B2 Receptor, Human | 7.7 | 0.52 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| Peptide ligand-binding receptors |
