| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 16 | Yes |
Popular Name: (3R)-N-[(2R,4S)-2-ethyltetrahydropyran-4-yl]-N-methyl-piperidin-3-amine (3R)-N-[(2R,4S)-2-ethyltetrahydr…
| 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) | 1.41 | 2.96 | -40.99 | 2 | 3 | 1 | 29 | 227.372 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.41 | 3.82 | -33.41 | 2 | 3 | 1 | 26 | 227.372 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.41 | 1.64 | -1.81 | 1 | 3 | 0 | 24 | 226.364 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.41 | 5.14 | -110.73 | 3 | 3 | 2 | 30 | 228.38 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
