| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 7th, 2008 | 14 | Yes |
Popular Name: 3-Chloro-2-(4-methylpiperazino)pyridine 3-Chloro-2-(4-methylpiperazino)p…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 87394-57-8 , [87394-57-8]
1-(3-Chloropyridin-2-yl)-4-methylpiperazine
| 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) | 1.66 | 5.66 | -34.83 | 1 | 3 | 1 | 21 | 212.704 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.66 | 3.19 | -4.76 | 0 | 3 | 0 | 19 | 211.696 | 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 | 215 | 0.67 | 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 | 215 | 0.67 | Binding ≤ 1μM |
| ADA2A_BOVIN | Q28838 | Alpha-2a Adrenergic Receptor, Bovin | 2.7 | 0.86 | Binding ≤ 1μM |
| ADA1A_BOVIN | P18130 | Alpha-1a Adrenergic Receptor, Bovin | 215 | 0.67 | Binding ≤ 10μM |
| ADA2A_BOVIN | Q28838 | Alpha-2a Adrenergic Receptor, Bovin | 2.7 | 0.86 | Binding ≤ 10μM |
