| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2011 | 21 | Yes |
Popular Name: 3-[[4-(1-amino-1-methyl-ethyl)triazol-1-yl]methyl]-1,2,3-benzotriazin-4-one 3-[[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) | 0.87 | 2.05 | -57.96 | 3 | 8 | 1 | 106 | 286.319 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.87 | 1.79 | -15.71 | 2 | 8 | 0 | 105 | 285.311 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
