| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 16 | Yes |
Popular Name: 2-[(2S)-1-(isoxazol-4-ylmethyl)-2-piperidyl]-N-methyl-ethanamine 2-[(2S)-1-(isoxazol-4-ylmethyl)-…
| 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) | 1.10 | 4.07 | -46.41 | 2 | 4 | 1 | 46 | 224.328 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.10 | 5.66 | -112.57 | 3 | 4 | 2 | 47 | 225.336 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
