| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 28th, 2011 | 21 | No |
Popular Name: N-[(4-methyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]quinoline-5-carboxamide N-[(4-methyl-5-sulfanyl-1,2,4-tr…
| 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) | 0.40 | 5.94 | -17.46 | 2 | 6 | 0 | 76 | 299.359 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.13 | 5.69 | -44.95 | 1 | 6 | -1 | 73 | 298.351 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![N-[(5-thioxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]quinoline-5-carboxamide](http://zinc12.docking.org/img/rings/305862.gif)