| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 23 | No |
None
None
| 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) | 3.24 | 8.38 | -37.22 | 1 | 5 | 1 | 45 | 334.465 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.24 | 6.27 | -10.06 | 0 | 5 | 0 | 43 | 333.457 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![5-benzyl-3-[(cyclopropylmethylamino)methyl]-1,3,4-oxadiazole-2-thione](http://zinc12.docking.org/img/rings/461378.gif)