| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 16 | Yes |
Popular Name: N-[(2S,4S)-2-ethyltetrahydropyran-4-yl]-1-methyl-piperidin-4-amine N-[(2S,4S)-2-ethyltetrahydropyra…
| 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) | 1.76 | 5.08 | -34.59 | 2 | 3 | 1 | 26 | 227.372 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.76 | 3.7 | -38.66 | 2 | 3 | 1 | 29 | 227.372 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.76 | 6.09 | -104.95 | 3 | 3 | 2 | 30 | 228.38 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
