| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 26th, 2011 | 18 | Yes |
Popular Name: (2S)-2-methyl-4-(2-methylallyl)-1-[(1-methylimidazol-2-yl)methyl]piperazine (2S)-2-methyl-4-(2-methylallyl)-…
| 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) | 1.32 | 4.58 | -28.41 | 1 | 4 | 1 | 26 | 249.382 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.32 | 4.38 | -6.78 | 0 | 4 | 0 | 24 | 248.374 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.32 | 6.83 | -81.33 | 2 | 4 | 2 | 27 | 250.39 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
