| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 17th, 2011 | 28 | 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) | 2.21 | 3.94 | -14.81 | 2 | 8 | 0 | 88 | 383.452 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.21 | 4.44 | -49.36 | 3 | 8 | 1 | 92 | 384.46 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.21 | 4.78 | -59.49 | 3 | 8 | 1 | 92 | 384.46 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![5-[[5-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazolidin-3-yl]methyl]-5H-pyrimidin-4-one](http://zinc12.docking.org/img/rings/398316.gif)