| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 16 | Yes |
Popular Name: [(2S,3R)-3-methyl-1-[[(2S)-tetrahydropyran-2-yl]methyl]-2-piperidyl]methanamine [(2S,3R)-3-methyl-1-[[(2S)-tetra…
| 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) | 1.16 | 3.35 | -45.98 | 3 | 3 | 1 | 40 | 227.372 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.16 | 4.82 | -28.34 | 3 | 3 | 1 | 40 | 227.372 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.16 | 5.14 | -113.13 | 4 | 3 | 2 | 41 | 228.38 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
