| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 2nd, 2009 | 29 | Yes |
Popular Name: 1-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-N-cyclopentyl-piperidine-4-carboxamide 1-(4-amino-6,7-dimethoxy-quinazo…
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) | 3.01 | 7.27 | -38.84 | 4 | 8 | 1 | 104 | 400.503 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.01 | 6.88 | -21.04 | 3 | 8 | 0 | 103 | 399.495 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104304-1-O | Adrenergic Receptor Alpha-1 (cluster #1 Of 3), Other | Other | 1 | 0.43 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104304 | Z104304 | Adrenergic Receptor Alpha-1 | 0.63 | 0.44 | Binding ≤ 1μM |
| Z104304 | Z104304 | Adrenergic Receptor Alpha-1 | 0.63 | 0.44 | Binding ≤ 10μM |
