| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 36 | No |
Popular Name: methyl methyl
| 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) | 4.27 | 9.64 | -24.89 | 2 | 6 | 0 | 85 | 520.401 | 9 | ↓ |
| Hi High (pH 8-9.5) | 4.46 | 7.46 | -49.53 | 1 | 6 | -1 | 91 | 519.393 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| BKRB1-1-E | Bradykinin B1 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2 | 0.34 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| BKRB1_HUMAN | P46663 | Bradykinin B1 Receptor, Human | 0.68 | 0.36 | Binding ≤ 1μM |
| BKRB1_HUMAN | P46663 | Bradykinin B1 Receptor, Human | 0.68 | 0.36 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| Peptide ligand-binding receptors |
