| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 15 | Yes |
Popular Name: (3R,4S)-1-[[(4S)-1,3-dioxan-4-yl]methyl]-4-methyl-piperidin-3-amine (3R,4S)-1-[[(4S)-1,3-dioxan-4-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) | 0.16 | 0.55 | -42.98 | 3 | 4 | 1 | 49 | 215.317 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.16 | 2.55 | -33.57 | 3 | 4 | 1 | 49 | 215.317 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.16 | 0.24 | -3.87 | 2 | 4 | 0 | 48 | 214.309 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.16 | 2.85 | -112.54 | 4 | 4 | 2 | 51 | 216.325 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
