| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2011 | 17 | Yes |
Popular Name: 2-[1-[(3,5-dimethylisoxazol-4-yl)methyl]triazol-4-yl]propan-2-amine 2-[1-[(3,5-dimethylisoxazol-4-yl…
| 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) | 0.73 | 2.32 | -58.76 | 3 | 6 | 1 | 84 | 236.299 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.73 | 2.06 | -13.85 | 2 | 6 | 0 | 83 | 235.291 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
