| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2004 | 32 | No |
| 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) | 2.65 | 5.88 | -14.68 | 1 | 10 | 0 | 121 | 455.858 | 7 | ↓ |
| Ref Reference (pH 7) | 2.65 | 5.92 | -16.33 | 1 | 10 | 0 | 121 | 455.858 | 7 | ↓ |
| Ref Reference (pH 7) | 2.65 | 7.01 | -23.16 | 1 | 10 | 0 | 121 | 455.858 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.35 | 5.46 | -132.38 | 1 | 10 | -2 | 137 | 453.842 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.35 | 3.94 | -21.48 | 3 | 10 | 0 | 132 | 455.858 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.35 | 4.69 | -54.14 | 2 | 10 | -1 | 134 | 454.85 | 7 | ↓ |
![3a,6a-dihydro-3H-pyrrolo[3,4-d]triazole-4,6-quinone](http://zinc12.docking.org/img/rings/4107.gif)
![2-(4,6-diketo-5-phenyl-3a,6a-dihydropyrrolo[3,4-d]triazol-1-yl)-N-phenyl-acetamide](http://zinc12.docking.org/img/rings/4106.gif)
