| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 26th, 2011 | 18 | Yes |
Popular Name: (2S)-4-allyl-1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-piperazine (2S)-4-allyl-1-[(1-ethylimidazol…
| 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) | 1.15 | 5.03 | -27.43 | 1 | 4 | 1 | 26 | 249.382 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.15 | 4.68 | -6.43 | 0 | 4 | 0 | 24 | 248.374 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.15 | 7.3 | -80.97 | 2 | 4 | 2 | 27 | 250.39 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
