| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 31 | Yes |
Popular Name: 7-methyl-2-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridyl]phenyl]methyl]imidazo[5,4-b]pyridine 7-methyl-2-propyl-3-[[4-[3-(2H-t…
| 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) | 3.76 | 10.88 | -48.97 | 0 | 8 | -1 | 96 | 409.477 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.76 | 11.3 | -51.31 | 1 | 8 | 0 | 98 | 410.485 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.76 | 11.14 | -48.13 | 1 | 8 | 0 | 98 | 410.485 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.76 | 11.57 | -87.81 | 2 | 8 | 1 | 99 | 411.493 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.76 | 11.3 | -53.03 | 1 | 8 | 0 | 98 | 410.485 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AGTR1-1-E | Type-1 Angiotensin II Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 116 | 0.31 | Binding ≤ 10μM |
| AGTRB-1-E | Angiotensin II Type 1b (AT-1b) Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 116 | 0.31 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AGTR1_HUMAN | P30556 | Angiotensin II Type 1 Receptor, Human | 116 | 0.31 | Binding ≤ 1μM |
| AGTRB_RAT | P29089 | Angiotensin II Type 1b (AT-1b) Receptor, Rat | 116 | 0.31 | Binding ≤ 1μM |
| AGTR1_HUMAN | P30556 | Angiotensin II Type 1 Receptor, Human | 116 | 0.31 | Binding ≤ 10μM |
| AGTRB_RAT | P29089 | Angiotensin II Type 1b (AT-1b) Receptor, Rat | 116 | 0.31 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Peptide ligand-binding receptors |
