| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 25th, 2009 | 33 | Yes |
Popular Name: 6-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-one 6-methyl-2-propyl-3-[[4-[2-(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) | 5.41 | 13.4 | -49 | 0 | 7 | -1 | 88 | 435.511 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 5.41 | 13.42 | -14.57 | 1 | 7 | 0 | 89 | 436.519 | 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 | 10 | 0.34 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AGTR1_RABIT | P34976 | Angiotensin II Type 1a (AT-1a) Receptor, Rabit | 10 | 0.34 | Binding ≤ 1μM |
| AGTR1_RABIT | P34976 | Angiotensin II Type 1a (AT-1a) Receptor, Rabit | 10 | 0.34 | Binding ≤ 10μM |
