| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 16 | Yes |
Popular Name: (2S)-1-[(1-ethylimidazol-2-yl)methyl]-2,4-dimethyl-piperazine (2S)-1-[(1-ethylimidazol-2-yl)me…
| 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) | 0.50 | 6.05 | -80.6 | 2 | 4 | 2 | 27 | 224.352 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.50 | 3.34 | -6.43 | 0 | 4 | 0 | 24 | 222.336 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.50 | 3.69 | -27.36 | 1 | 4 | 1 | 26 | 223.344 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
