| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 7th, 2010 | 19 | Yes |
Popular Name: 3-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]propanoic 3-[4-[(1-ethylimidazol-2-yl)meth…
| 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) | -0.31 | 6.93 | -83.89 | 2 | 6 | 1 | 67 | 267.353 | 6 | ↓ |
| Hi High (pH 8-9.5) | -0.31 | 6.49 | -47.1 | 1 | 6 | 0 | 66 | 266.345 | 6 | ↓ |
| Hi High (pH 8-9.5) | -0.31 | 4.21 | -47.76 | 0 | 6 | -1 | 64 | 265.337 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.31 | 4.68 | -60.07 | 1 | 6 | 0 | 66 | 266.345 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
