| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2011 | 19 | Yes |
Popular Name: 2-[2-[4-(2-aminoethyl)-1-piperidyl]acetyl]-5-methyl-isoxazol-3-one 2-[2-[4-(2-aminoethyl)-1-piperid…
| 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) | 0.10 | 5.28 | -106.9 | 4 | 6 | 2 | 84 | 269.345 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.10 | 3.12 | -57.64 | 3 | 6 | 1 | 83 | 268.337 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
