| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 7th, 2010 | 14 | Yes |
Popular Name: N-[[(2S)-1,4-dioxan-2-yl]methyl]-1-(1H-imidazol-5-yl)methanamine N-[[(2S)-1,4-dioxan-2-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) | -0.65 | 2.13 | -38.13 | 3 | 5 | 1 | 64 | 198.246 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.65 | 0.76 | -9.03 | 2 | 5 | 0 | 59 | 197.238 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.65 | 1.25 | -34.31 | 3 | 5 | 1 | 60 | 198.246 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
