| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2008 | 16 | Yes |
Popular Name: [1-methyl-4-[(3S)-3-methyl-1-piperidyl]-4-piperidyl]methanamine [1-methyl-4-[(3S)-3-methyl-1-pip…
| 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) | 0.79 | 2.83 | -26.51 | 3 | 3 | 1 | 34 | 226.388 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.79 | 3.67 | -33.15 | 3 | 3 | 1 | 34 | 226.388 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.79 | 4 | -105.24 | 4 | 3 | 2 | 35 | 227.396 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.79 | 5.24 | -93.27 | 4 | 3 | 2 | 35 | 227.396 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
