| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 13th, 2009 | 13 | Yes |
Popular Name: 1-(3-chloropyridin-4-yl)piperazine 1-(3-chloropyridin-4-yl)piperazine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1707602-64-9 , 87394-66-9
| 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) | 0.87 | 2.2 | -46.75 | 2 | 3 | 1 | 33 | 198.677 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.87 | 0.78 | -4.13 | 1 | 3 | 0 | 28 | 197.669 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.87 | 2.64 | -93.11 | 3 | 3 | 2 | 34 | 199.685 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 74 - 76 | Enamine Building Blocks |
| MP | 74...76 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA1A-2-E | Alpha-1a Adrenergic Receptor (cluster #2 Of 3), Eukaryotic | Eukaryotes | 6800 | 0.56 | Binding ≤ 10μM |
| ADA2A-2-E | Alpha-2a Adrenergic Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 390 | 0.69 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA2A_BOVIN | Q28838 | Alpha-2a Adrenergic Receptor, Bovin | 390 | 0.69 | Binding ≤ 1μM |
| ADA1A_BOVIN | P18130 | Alpha-1a Adrenergic Receptor, Bovin | 6800 | 0.56 | Binding ≤ 10μM |
| ADA2A_BOVIN | Q28838 | Alpha-2a Adrenergic Receptor, Bovin | 390 | 0.69 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.