| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 2nd, 2011 | 16 | Yes |
Popular Name: (1S)-N-[[(2S)-1,4-dioxan-2-yl]methyl]-1-(1-methylimidazol-2-yl)ethanamine (1S)-N-[[(2S)-1,4-dioxan-2-yl]me…
| 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) | -0.15 | 2.74 | -28.84 | 2 | 5 | 1 | 50 | 226.3 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.15 | 1.98 | -9.42 | 1 | 5 | 0 | 48 | 225.292 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -0.15 | 3.27 | -38.73 | 2 | 5 | 1 | 53 | 226.3 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
