| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2009 | 35 | Yes |
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) | 2.94 | 9.81 | -20.55 | 1 | 7 | 0 | 75 | 480.515 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.94 | 12.16 | -56.56 | 2 | 7 | 1 | 76 | 481.523 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| BKRB1-1-E | Bradykinin B1 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4 | 0.34 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| BKRB1_HUMAN | P46663 | Bradykinin B1 Receptor, Human | 4.4 | 0.33 | Binding ≤ 1μM |
| BKRB1_HUMAN | P46663 | Bradykinin B1 Receptor, Human | 4.4 | 0.33 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| Peptide ligand-binding receptors |
