| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 18th, 2011 | 21 | No |
Popular Name: N-[1-(4-Isobutyl-5-mercapto-4H-[1,2,4]triazol-3-yl)-ethyl]-benzamide N-[1-(4-Isobutyl-5-mercapto-4H-[…
| 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) | 1.82 | 7.97 | -11.52 | 2 | 5 | 0 | 63 | 304.419 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.55 | 7.77 | -43.69 | 1 | 5 | -1 | 60 | 303.411 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![N-[(5-thioxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide](http://zinc12.docking.org/img/rings/171536.gif)