| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 16 | Yes |
Popular Name: [(2S,6S)-1-[[(4S)-1,3-dioxan-4-yl]methyl]-6-methyl-2-piperidyl]methanamine [(2S,6S)-1-[[(4S)-1,3-dioxan-4-y…
| 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) | 0.45 | 1.63 | -39.97 | 3 | 4 | 1 | 49 | 229.344 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.45 | 3.19 | -106.7 | 4 | 4 | 2 | 51 | 230.352 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.45 | 4.03 | -27.37 | 3 | 4 | 1 | 49 | 229.344 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
