| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 22 | Yes |
Popular Name: 1-[4-(2-allyl-4-methyl-phenoxy)butyl]-4-methyl-piperazine 1-[4-(2-allyl-4-methyl-phenoxy)b…
| 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) | 3.66 | 9.77 | -37.75 | 1 | 3 | 1 | 17 | 303.47 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.66 | 7.44 | -4.01 | 0 | 3 | 0 | 16 | 302.462 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.66 | 9.91 | -35.83 | 1 | 3 | 1 | 17 | 303.47 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
