| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 2nd, 2009 | 28 | Yes |
Popular Name: (3S)-1-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-N,N-diethyl-piperidine-3-carboxamide (3S)-1-(4-amino-6,7-dimethoxy-qu…
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) | 2.60 | 7.79 | -37.54 | 3 | 8 | 1 | 95 | 388.492 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.60 | 7.43 | -16.76 | 2 | 8 | 0 | 94 | 387.484 | 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 | 117 | 0.35 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104304 | Z104304 | Adrenergic Receptor Alpha-1 | 116.73 | 0.35 | Binding ≤ 1μM |
| Z104304 | Z104304 | Adrenergic Receptor Alpha-1 | 116.73 | 0.35 | Binding ≤ 10μM |
