| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 25th, 2011 | 22 | No |
Popular Name: 3-[[allyl(phenethyl)amino]methyl]-5-(dimethylamino)-1,3,4-thiadiazole-2-thione 3-[[allyl(phenethyl)amino]methyl…
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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) | 3.08 | 9.67 | -9.2 | 0 | 4 | 0 | 24 | 334.514 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.08 | 11.93 | -36.55 | 1 | 4 | 1 | 26 | 335.522 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3-[(phenethylamino)methyl]-1,3,4-thiadiazole-2-thione](http://zinc12.docking.org/img/rings/297491.gif)