| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 18 | No |
Popular Name: 4-allyl-2-[[cyclopropylmethyl(ethyl)amino]methyl]-5-methyl-1,2,4-triazole-3-thione 4-allyl-2-[[cyclopropylmethyl(et…
| 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) | 1.51 | 11.35 | -34.07 | 1 | 4 | 1 | 27 | 267.422 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.51 | 9.37 | -12.56 | 0 | 4 | 0 | 26 | 266.414 | 7 | ↓ |
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)