| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 30 | Yes |
Popular Name: 3-benzyl-7-[[4-(2-pyridyl)piperazin-1-yl]methyl]-1,2-benzoxazol-6-ol 3-benzyl-7-[[4-(2-pyridyl)pipera…
| 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) | 4.32 | 9.18 | -36.88 | 2 | 6 | 1 | 67 | 401.49 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.32 | 9.46 | -44.67 | 0 | 6 | -1 | 68 | 399.474 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.32 | 11.14 | -41.4 | 2 | 6 | 1 | 67 | 401.49 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.32 | 8.86 | -13.97 | 1 | 6 | 0 | 66 | 400.482 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.32 | 11.44 | -96.02 | 3 | 6 | 2 | 68 | 402.498 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3-benzyl-7-[[4-(2-pyridyl)piperazino]methyl]indoxazene](http://zinc12.docking.org/img/rings/550377.gif)