| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2010 | 18 | Yes |
Popular Name: N-[[5-(azocan-1-ylmethyl)isoxazol-3-yl]methyl]ethanamine N-[[5-(azocan-1-ylmethyl)isoxazo…
| 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) | 2.56 | 7.44 | -94.84 | 3 | 4 | 2 | 47 | 253.39 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.56 | 6.06 | -38.14 | 2 | 4 | 1 | 42 | 252.382 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
