| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2010 | 17 | Yes |
Popular Name: N-[[5-[(2-methylimidazol-1-yl)methyl]isoxazol-3-yl]methyl]propan-2-amine N-[[5-[(2-methylimidazol-1-yl)me…
| 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 | 6.39 | -85.6 | 3 | 5 | 2 | 62 | 236.319 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.87 | 4.71 | -12.39 | 1 | 5 | 0 | 56 | 234.303 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.87 | 5.93 | -48.72 | 2 | 5 | 1 | 60 | 235.311 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
