| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2010 | 17 | Yes |
Popular Name: 1-[5-(azocan-1-ylmethyl)isoxazol-3-yl]-N-methyl-methanamine 1-[5-(azocan-1-ylmethyl)isoxazol…
| 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) | 2.18 | 6.58 | -94.91 | 3 | 4 | 2 | 47 | 239.363 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.18 | 5.13 | -38.26 | 2 | 4 | 1 | 42 | 238.355 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
