| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 17 | No |
Popular Name: 2-[[cyclopropylmethyl(ethyl)amino]methyl]-4-ethyl-5-methyl-1,2,4-triazole-3-thione 2-[[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) | 1.24 | 10.82 | -34.08 | 1 | 4 | 1 | 27 | 255.411 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.24 | 8.65 | -11.63 | 0 | 4 | 0 | 26 | 254.403 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2-[(cyclopropylmethylamino)methyl]-4H-1,2,4-triazole-3-thione](http://zinc12.docking.org/img/rings/166395.gif)