| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2010 | 20 | Yes |
Popular Name: N-[[5-[[(3S)-3-ethoxy-1-piperidyl]methyl]isoxazol-3-yl]methyl]propan-2-amine N-[[5-[[(3S)-3-ethoxy-1-piperidy…
| 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) | 1.69 | 6.65 | -97.08 | 3 | 5 | 2 | 56 | 283.416 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.69 | 5.44 | -42.2 | 2 | 5 | 1 | 52 | 282.408 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
