| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 21 | Yes |
Popular Name: 1-[[(4S)-1,3-dioxan-4-yl]methyl]-4-phenethyl-piperazine 1-[[(4S)-1,3-dioxan-4-yl]methyl]…
| 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) | 2.11 | 6.9 | -40.06 | 1 | 4 | 1 | 26 | 291.415 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.11 | 4.64 | -5.06 | 0 | 4 | 0 | 25 | 290.407 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.11 | 6.98 | -36.68 | 1 | 4 | 1 | 26 | 291.415 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
