| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 29th, 2011 | 22 | No |
Popular Name: N-[(4-ethyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]-1-methyl-benzotriazole-5-carboxamide N-[(4-ethyl-5-sulfanyl-1,2,4-tri…
| 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) | -0.09 | 4.94 | -21.26 | 2 | 8 | 0 | 93 | 317.378 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.64 | 4.71 | -47.62 | 1 | 8 | -1 | 91 | 316.37 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![N-[(5-thioxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1H-benzotriazole-5-carboxamide](http://zinc12.docking.org/img/rings/305815.gif)