| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 28th, 2011 | 18 | No |
Popular Name: 2-[ethyl-[[3-(2-thienyl)-5-thioxo-4H-1,2,4-triazol-1-yl]methyl]amino]acetonitrile 2-[ethyl-[[3-(2-thienyl)-5-thiox…
| 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) | 1.52 | 6.36 | -11.46 | 1 | 5 | 0 | 61 | 279.394 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.25 | 6.06 | -46.17 | 0 | 5 | -1 | 58 | 278.386 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
