| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 14th, 2009 | 27 | Yes |
Popular Name: 6,7-dimethoxy-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-amine 6,7-dimethoxy-2-(4-pyrimidin-2-y…
None
| 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) | 2.03 | 6.64 | -35.12 | 3 | 9 | 1 | 104 | 368.421 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.03 | 6.25 | -17.05 | 2 | 9 | 0 | 103 | 367.413 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104304-1-O | Adrenergic Receptor Alpha-1 (cluster #1 Of 3), Other | Other | 0 | 0.00 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104304 | Z104304 | Adrenergic Receptor Alpha-1 | 0.26 | 0.50 | Binding ≤ 1μM |
| Z104304 | Z104304 | Adrenergic Receptor Alpha-1 | 0.26 | 0.50 | Binding ≤ 10μM |
