| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 5th, 2011 | 22 | No |
Popular Name: N-[2-(4-isopropyl-5-sulfanyl-1,2,4-triazol-3-yl)ethyl]-5-nitro-furan-2-carboxamide N-[2-(4-isopropyl-5-sulfanyl-1,2…
| 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) | 0.63 | 6.06 | -18.18 | 2 | 9 | 0 | 122 | 325.35 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.36 | 5.99 | -48.74 | 1 | 9 | -1 | 119 | 324.342 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![N-[2-(5-thioxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]-2-furamide](http://zinc12.docking.org/img/rings/463035.gif)