| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2010 | 17 | Yes |
Popular Name: N-[[5-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]isoxazol-3-yl]methyl]ethanamine N-[[5-[(3,5-dimethyl-1,2,4-triaz…
| 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) | 0.13 | 5.13 | -54.89 | 2 | 6 | 1 | 73 | 236.299 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.13 | 3.75 | -14.33 | 1 | 6 | 0 | 69 | 235.291 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
