| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 14 | Yes |
Popular Name: 2-[(2S)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazole 2-[(2S)-pyrrolidin-2-yl]-5-(trif…
| 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) | 1.31 | 3.17 | -40.44 | 3 | 3 | 1 | 45 | 206.191 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.31 | 2.46 | -30.32 | 2 | 3 | 0 | 44 | 205.183 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.31 | 1.94 | -3.81 | 2 | 3 | 0 | 41 | 205.183 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.31 | 1.97 | -6.52 | 2 | 3 | 0 | 41 | 205.183 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
