| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2010 | 19 | No |
Popular Name: 2-[[methyl-[(1S)-1-(2-thienyl)ethyl]amino]methyl]-5-propyl-4H-1,2,4-triazole-3-thione 2-[[methyl-[(1S)-1-(2-thienyl)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) | 2.48 | 8.12 | -10.35 | 1 | 4 | 0 | 37 | 296.465 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.48 | 10.43 | -34.21 | 2 | 4 | 1 | 38 | 297.473 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2-[(2-thenylamino)methyl]-4H-1,2,4-triazole-3-thione](http://zinc12.docking.org/img/rings/156899.gif)