| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 16 | Yes |
Popular Name: (2S,4S)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-ethyl-tetrahydropyran-4-amine (2S,4S)-N-[[(2R)-1,4-dioxan-2-yl…
| 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) | 0.97 | 3.11 | -40.78 | 2 | 4 | 1 | 44 | 230.328 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.97 | 1.86 | -4.71 | 1 | 4 | 0 | 40 | 229.32 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
