| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 22 | Yes |
Popular Name: (2S)-1-(2-methoxyethyl)-2-methyl-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperazine (2S)-1-(2-methoxyethyl)-2-methyl…
| 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) | 1.03 | 3.93 | -33.15 | 1 | 5 | 1 | 35 | 321.367 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.03 | 3.47 | -8.61 | 0 | 5 | 0 | 34 | 320.359 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.03 | 5.7 | -36.17 | 1 | 5 | 1 | 35 | 321.367 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.03 | 6.22 | -86.06 | 2 | 5 | 2 | 36 | 322.375 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
