| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 21 | No |
Popular Name: 2-[[allyl(cyclohexylmethyl)amino]methyl]-4-ethyl-5-methyl-1,2,4-triazole-3-thione 2-[[allyl(cyclohexylmethyl)amino…
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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) | 2.93 | 13.14 | -34.9 | 1 | 4 | 1 | 27 | 309.503 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.93 | 11.48 | -12.09 | 0 | 4 | 0 | 26 | 308.495 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2-[(cyclohexylmethylamino)methyl]-4H-1,2,4-triazole-3-thione](http://zinc12.docking.org/img/rings/165068.gif)