| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 19th, 2008 | 16 | Yes |
Popular Name: 2-(4-Bromophenyl)-1H-imidazo[4,5-c]pyridine 2-(4-Bromophenyl)-1H-imidazo[4,5…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 113270-73-8 , [113270-73-8]
| 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) | 3.26 | 5.5 | -35.08 | 0 | 3 | -1 | 40 | 273.113 | 1 | ↓ |
| Hi High (pH 8-9.5) | 3.26 | 6.35 | -32.61 | 2 | 3 | 1 | 43 | 275.129 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.18 | 11.24 | -44.42 | 2 | 9 | 1 | 89 | 405.486 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.26 | 6.35 | -33.43 | 2 | 3 | 1 | 43 | 275.129 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 3.26 | 6.23 | -40.14 | 2 | 3 | 1 | 43 | 275.129 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 3.26 | 6.63 | -102.1 | 3 | 3 | 2 | 44 | 276.137 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.