| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2010 | 15 | Yes |
Popular Name: N-[[5-(imidazol-1-ylmethyl)isoxazol-3-yl]methyl]ethanamine N-[[5-(imidazol-1-ylmethyl)isoxa…
| 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) | 0.49 | 6.13 | -90.03 | 3 | 5 | 2 | 62 | 208.265 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.49 | 4.24 | -11.07 | 1 | 5 | 0 | 56 | 206.249 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.49 | 5.62 | -50.15 | 2 | 5 | 1 | 60 | 207.257 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
