| 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]-1-methyl-6-oxo-pyridine-3-carboxamide 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) | -0.46 | 5.51 | -18.47 | 2 | 7 | 0 | 85 | 307.379 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.27 | 5.3 | -46.12 | 1 | 7 | -1 | 82 | 306.371 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![6-keto-N-[(5-thioxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1H-pyridine-3-carboxamide](http://zinc12.docking.org/img/rings/305479.gif)