| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 7th, 2009 | 37 | Yes |
Popular Name: N-[2-butyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-6-yl]acetamide N-[2-butyl-4-oxo-3-[[4-[2-(2H-te…
| 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) | 4.74 | 12.4 | -54.15 | 1 | 9 | -1 | 117 | 492.563 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 4.74 | 12.42 | -18.46 | 2 | 9 | 0 | 118 | 493.571 | 8 | ↓ |
| 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 | 9 | 0.30 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AGTR1_HUMAN | P30556 | Angiotensin II Type 1 Receptor, Human | 9 | 0.30 | Binding ≤ 1μM |
| AGTR1_RABIT | P34976 | Angiotensin II Type 1a (AT-1a) Receptor, Rabit | 9 | 0.30 | Binding ≤ 1μM |
| AGTR1_HUMAN | P30556 | Angiotensin II Type 1 Receptor, Human | 9 | 0.30 | Binding ≤ 10μM |
| AGTR1_RABIT | P34976 | Angiotensin II Type 1a (AT-1a) Receptor, Rabit | 9 | 0.30 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Peptide ligand-binding receptors |
