| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2010 | 28 | No |
Popular Name: 3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-nitro-1,3-benzoxazole-2-thione 3-[[4-(4-methoxyphenyl)piperazin…
| 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) | 3.18 | 8.38 | -13.17 | 0 | 8 | 0 | 80 | 400.46 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.18 | 10.63 | -52.61 | 1 | 8 | 1 | 81 | 401.468 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3-[(4-phenylpiperazino)methyl]-1,3-benzoxazole-2-thione](http://zinc12.docking.org/img/rings/67226.gif)