| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 14th, 2009 | 14 | Yes |
Popular Name: 1-(3-bromopyridin-2-yl)-4-methylpiperazine 1-(3-bromopyridin-2-yl)-4-methyl…
Find On: PubMed — Wikipedia — Google
CAS Number: 87394-59-0
| 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) | 1.79 | 5.84 | -34.87 | 1 | 3 | 1 | 21 | 257.155 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.79 | 3.38 | -4.6 | 0 | 3 | 0 | 19 | 256.147 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA1A-2-E | Alpha-1a Adrenergic Receptor (cluster #2 Of 3), Eukaryotic | Eukaryotes | 160 | 0.68 | Binding ≤ 10μM |
| ADA2A-2-E | Alpha-2a Adrenergic Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 3 | 0.85 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA1A_BOVIN | P18130 | Alpha-1a Adrenergic Receptor, Bovin | 160 | 0.68 | Binding ≤ 1μM |
| ADA2A_BOVIN | Q28838 | Alpha-2a Adrenergic Receptor, Bovin | 2.9 | 0.85 | Binding ≤ 1μM |
| ADA1A_BOVIN | P18130 | Alpha-1a Adrenergic Receptor, Bovin | 160 | 0.68 | Binding ≤ 10μM |
| ADA2A_BOVIN | Q28838 | Alpha-2a Adrenergic Receptor, Bovin | 2.9 | 0.85 | Binding ≤ 10μM |
