| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 25th, 2011 | 23 | No |
Popular Name: 3-[(4-benzylpiperazin-1-yl)methyl]-5-(dimethylamino)-1,3,4-thiadiazole-2-thione 3-[(4-benzylpiperazin-1-yl)methy…
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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) | 1.92 | 6.94 | -9.46 | 0 | 5 | 0 | 28 | 349.529 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.92 | 9.2 | -40.29 | 1 | 5 | 1 | 29 | 350.537 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3-[(4-benzylpiperazino)methyl]-1,3,4-thiadiazole-2-thione](http://zinc12.docking.org/img/rings/123318.gif)