| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 33 | Yes |
Popular Name: 4-[4-[(2-ethyl-5,7-dimethyl-imidazo[5,4-b]pyridin-3-yl)methyl]phenyl]quinoline-3-carboxylic 4-[4-[(2-ethyl-5,7-dimethyl-imid…
| 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) | 5.25 | 13.75 | -61.87 | 0 | 6 | -1 | 84 | 435.507 | 5 | ↓ |
| Mid Mid (pH 6-8) | 5.25 | 14.18 | -59.57 | 1 | 6 | 0 | 85 | 436.515 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 5.25 | 14.02 | -67.83 | 1 | 6 | 0 | 85 | 436.515 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 5.25 | 14.45 | -105.47 | 2 | 6 | 1 | 86 | 437.523 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AGTRB-1-E | Angiotensin II Type 1b (AT-1b) Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 17 | 0.33 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AGTRB_RAT | P29089 | Angiotensin II Type 1b (AT-1b) Receptor, Rat | 17 | 0.33 | Binding ≤ 1μM |
| AGTRB_RAT | P29089 | Angiotensin II Type 1b (AT-1b) Receptor, Rat | 17 | 0.33 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Peptide ligand-binding receptors |
