| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 26th, 2008 | 33 | Yes |
Popular Name: 2-butyl-5,7-dimethyl-3-[[4-[2-(1H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[5,4-b]pyridine 2-butyl-5,7-dimethyl-3-[[4-[2-(1…
| 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) | 5.91 | 14.15 | -55.51 | 0 | 7 | -1 | 83 | 436.543 | 7 | ↓ |
| Mid Mid (pH 6-8) | 5.91 | 14.56 | -50.67 | 1 | 7 | 0 | 85 | 437.551 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 5.91 | 14.38 | -56.91 | 1 | 7 | 0 | 85 | 437.551 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 5.91 | 14.81 | -101.8 | 2 | 7 | 1 | 86 | 438.559 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 5.91 | 14.67 | -38.04 | 2 | 7 | 1 | 86 | 438.559 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 5.91 | 14.15 | -16 | 1 | 7 | 0 | 85 | 437.551 | 7 | ↓ |
| 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 | 1 | 0.38 | Binding ≤ 10μM |
| AGTR2-1-E | Angiotensin II Type 2 (AT-2) Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1 | 0.38 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AGTR1_HUMAN | P30556 | Angiotensin II Type 1 Receptor, Human | 0.5 | 0.39 | Binding ≤ 1μM |
| AGTR2_HUMAN | P50052 | Angiotensin II Type 2 (AT-2) Receptor, Human | 0.5 | 0.39 | Binding ≤ 1μM |
| AGTR1_HUMAN | P30556 | Angiotensin II Type 1 Receptor, Human | 0.5 | 0.39 | Binding ≤ 10μM |
| AGTR2_HUMAN | P50052 | Angiotensin II Type 2 (AT-2) Receptor, Human | 0.5 | 0.39 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| Peptide ligand-binding receptors |
