| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2011 | 16 | Yes |
Popular Name: 1-[4-(5-aminoisoxazol-3-yl)-1-piperidyl]propan-1-one 1-[4-(5-aminoisoxazol-3-yl)-1-pi…
| 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) | 0.87 | 1.87 | -11.79 | 2 | 5 | 0 | 72 | 223.276 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.87 | 1.95 | -37.67 | 3 | 5 | 1 | 74 | 224.284 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
