| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 15 | Yes |
Popular Name: 2-[(3R,4S)-3-amino-4-methyl-1-piperidyl]-1-(azetidin-1-yl)ethanone 2-[(3R,4S)-3-amino-4-methyl-1-pi…
| 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) | -0.43 | 1.2 | -50.61 | 3 | 4 | 1 | 51 | 212.317 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.43 | 3.07 | -34.7 | 3 | 4 | 1 | 51 | 212.317 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.43 | 3.37 | -117.06 | 4 | 4 | 2 | 52 | 213.325 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
