| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 2nd, 2009 | 31 | Yes |
Popular Name: 6,7-dimethoxy-2-[4-(p-tolylsulfonyl)piperazin-1-yl]quinazolin-4-amine 6,7-dimethoxy-2-[4-(p-tolylsulfo…
| 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) | 2.98 | 7.73 | -16.65 | 2 | 9 | 0 | 111 | 443.529 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.98 | 8.02 | -37.69 | 3 | 9 | 1 | 112 | 444.537 | 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 | 11 | 0.36 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104304 | Z104304 | Adrenergic Receptor Alpha-1 | 11.4815362 | 0.36 | Binding ≤ 1μM |
| Z104304 | Z104304 | Adrenergic Receptor Alpha-1 | 11.4815362 | 0.36 | Binding ≤ 10μM |
