| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 16 | Yes |
Popular Name: 2-[(2S)-1-[(5-methylisoxazol-3-yl)methyl]-2-piperidyl]ethanamine 2-[(2S)-1-[(5-methylisoxazol-3-y…
| 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) | 0.66 | 2.79 | -42.74 | 3 | 4 | 1 | 57 | 224.328 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.66 | 4.45 | -109.22 | 4 | 4 | 2 | 58 | 225.336 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
