| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2008 | 13 | Yes |
Popular Name: 1-(3-Iodopyridin-2-yl)piperazine 1-(3-Iodopyridin-2-yl)piperazine
Find On: PubMed — Wikipedia — Google
CAS Number: 85386-98-7
1-(3-Iodo-2-pyridyl)piperazine
1-(3-Iodo-2-pyridyl)piperazine, 98%
| 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) | 1.47 | 4.19 | -41 | 2 | 3 | 1 | 33 | 290.128 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.47 | 2.78 | -4.85 | 1 | 3 | 0 | 28 | 289.12 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 63.1-67.8° | Matrix Scientific |
| Purity | 97% | Fluorochem |
| Purity | 97+% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
| PUBCHEM_PATENT_ID | US4442103 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA1A-2-E | Alpha-1a Adrenergic Receptor (cluster #2 Of 3), Eukaryotic | Eukaryotes | 1600 | 0.62 | Binding ≤ 10μM |
| ADA2A-2-E | Alpha-2a Adrenergic Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 42 | 0.79 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA2A_BOVIN | Q28838 | Alpha-2a Adrenergic Receptor, Bovin | 42 | 0.79 | Binding ≤ 1μM |
| ADA1A_BOVIN | P18130 | Alpha-1a Adrenergic Receptor, Bovin | 1600 | 0.62 | Binding ≤ 10μM |
| ADA2A_BOVIN | Q28838 | Alpha-2a Adrenergic Receptor, Bovin | 42 | 0.79 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.