| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2011 | 18 | Yes |
Popular Name: 2-[[4-(1-amino-1-methyl-ethyl)triazol-1-yl]methyl]-5-hydroxy-pyran-4-one 2-[[4-(1-amino-1-methyl-ethyl)tr…
| 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) | -0.29 | 0.07 | -73.45 | 4 | 7 | 1 | 109 | 251.266 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.29 | 0.69 | -60.03 | 2 | 7 | -1 | 110 | 249.25 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.29 | 0.94 | -97.6 | 3 | 7 | 0 | 112 | 250.258 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.71 | 1.2 | -20.15 | 2 | 7 | 0 | 100 | 250.258 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
