| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 16th, 2011 | 16 | Yes |
Popular Name: (1S)-N-methyl-1-[(2S)-1-tetrahydropyran-4-yl-2-piperidyl]ethanamine (1S)-N-methyl-1-[(2S)-1-tetrahyd…
| 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) | 1.73 | 5.37 | -105.83 | 3 | 3 | 2 | 30 | 228.38 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.73 | 4.22 | -30.73 | 2 | 3 | 1 | 26 | 227.372 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.73 | 3.6 | -39.69 | 2 | 3 | 1 | 29 | 227.372 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
