| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 28th, 2010 | 20 | No |
Popular Name: 2-[[(2-chlorophenyl)methyl-prop-2-ynyl-amino]methyl]-4-methyl-1,2,4-triazole-3-thione 2-[[(2-chlorophenyl)methyl-prop-…
| 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) | 1.72 | 10.39 | -14.66 | 0 | 4 | 0 | 26 | 306.822 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.72 | 12.53 | -35.55 | 1 | 4 | 1 | 27 | 307.83 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2-[(benzylamino)methyl]-4H-1,2,4-triazole-3-thione](http://zinc12.docking.org/img/rings/164224.gif)