| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 15 | No |
Popular Name: 3-[[cyclopropylmethyl(ethyl)amino]methyl]-5-methyl-1,3,4-thiadiazole-2-thione 3-[[cyclopropylmethyl(ethyl)amin…
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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) | 1.36 | 8.21 | -101.14 | 2 | 3 | 2 | 24 | 245.417 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.36 | 8.1 | -33.26 | 1 | 3 | 1 | 22 | 244.409 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.36 | 5.99 | -8.62 | 0 | 3 | 0 | 21 | 243.401 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3-[(cyclopropylmethylamino)methyl]-1,3,4-thiadiazole-2-thione](http://zinc12.docking.org/img/rings/298182.gif)