| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 29th, 2011 | 21 | No |
Popular Name: N-[(4-isopropyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]-2-(6-methyl-3-pyridyl)acetamide N-[(4-isopropyl-5-sulfanyl-1,2,4…
| 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) | -0.21 | 6.2 | -16.65 | 2 | 6 | 0 | 76 | 305.407 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.52 | 6.01 | -45.93 | 1 | 6 | -1 | 73 | 304.399 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -0.21 | 6.64 | -43.23 | 3 | 6 | 1 | 77 | 306.415 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2-(3-pyridyl)-N-[(5-thioxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide](http://zinc12.docking.org/img/rings/309467.gif)