| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 16 | Yes |
Popular Name: 2-[(2S,3R)-2-(aminomethyl)-3-methyl-1-piperidyl]-1-(azetidin-1-yl)ethanone 2-[(2S,3R)-2-(aminomethyl)-3-met…
| 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) | -0.23 | 2.14 | -56.55 | 3 | 4 | 1 | 51 | 226.344 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.23 | 3.82 | -121.35 | 4 | 4 | 2 | 52 | 227.352 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
