| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 31 | Yes |
Popular Name: 3-[(4-chlorophenyl)methyl]-7-[[4-(2-pyridyl)piperazin-1-yl]methyl]-1,2-benzoxazol-6-ol 3-[(4-chlorophenyl)methyl]-7-[[4…
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| 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) | 4.99 | 9.42 | -34.75 | 2 | 6 | 1 | 67 | 435.935 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.99 | 9.87 | -45.05 | 0 | 6 | -1 | 68 | 433.919 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.99 | 11.33 | -42.71 | 2 | 6 | 1 | 67 | 435.935 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.99 | 11.64 | -95.28 | 3 | 6 | 2 | 68 | 436.943 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.99 | 9.1 | -13.35 | 1 | 6 | 0 | 66 | 434.927 | 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)