| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2010 | 16 | Yes |
Popular Name: N-[[(2S)-1,4-dioxan-2-yl]methyl]-2-(2-methylimidazol-1-yl)ethanamine N-[[(2S)-1,4-dioxan-2-yl]methyl]…
None
| 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) | -0.85 | 3.93 | -52.59 | 2 | 5 | 1 | 53 | 226.3 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.85 | 2.59 | -8.05 | 1 | 5 | 0 | 48 | 225.292 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.85 | 3.06 | -29.68 | 2 | 5 | 1 | 50 | 226.3 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.85 | 4.4 | -100.29 | 3 | 5 | 2 | 54 | 227.308 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
