| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 20 | Yes |
Popular Name: 2-(pyrrolidin-2-yl)-4-[2-(trifluoromethyl)phenyl]-1H-imidazole dihydrochloride 2-(pyrrolidin-2-yl)-4-[2-(triflu…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1153102-23-8 , 1354952-51-4
| 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) | 2.70 | 7.58 | -37.31 | 3 | 3 | 1 | 45 | 282.289 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.70 | 5.68 | -6.96 | 2 | 3 | 0 | 41 | 281.281 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.70 | 6.36 | -10.03 | 2 | 3 | 0 | 41 | 281.281 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.70 | 7.31 | -103.53 | 4 | 3 | 2 | 47 | 283.297 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.
