| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 25th, 2011 | 22 | No |
Popular Name: 3-[[[1-(4-chlorophenyl)cyclobutyl]amino]methyl]-5-(dimethylamino)-1,3,4-thiadiazole-2-thione 3-[[[1-(4-chlorophenyl)cyclobuty…
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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) | 3.39 | 8.46 | -34.77 | 2 | 4 | 1 | 34 | 355.94 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.39 | 8.37 | -9.25 | 1 | 4 | 0 | 33 | 354.932 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.39 | 9.98 | -105.62 | 3 | 4 | 2 | 39 | 356.948 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.39 | 9.82 | -37.2 | 2 | 4 | 1 | 38 | 355.94 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3-[[(1-phenylcyclobutyl)amino]methyl]-1,3,4-thiadiazole-2-thione](http://zinc12.docking.org/img/rings/166928.gif)