| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 2nd, 2009 | 31 | Yes |
Popular Name: 1-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-3-phenyl-propan-1-one 1-[4-(4-amino-6,7-dimethoxy-quin…
| 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) | 3.26 | 9.54 | -40.17 | 3 | 8 | 1 | 95 | 422.509 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.26 | 9.14 | -17.45 | 2 | 8 | 0 | 94 | 421.501 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104304-1-O | Adrenergic Receptor Alpha-1 (cluster #1 Of 3), Other | Other | 3 | 0.38 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104304 | Z104304 | Adrenergic Receptor Alpha-1 | 3.38844156 | 0.38 | Binding ≤ 1μM |
| Z104304 | Z104304 | Adrenergic Receptor Alpha-1 | 3.38844156 | 0.38 | Binding ≤ 10μM |
