| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2010 | 22 | No |
Popular Name: N-prop-2-ynyl-2-[[2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetyl]amino]acetamide N-prop-2-ynyl-2-[[2-[3-(2-thieny…
| 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) | 0.95 | 4.44 | -54.75 | 2 | 7 | -1 | 89 | 334.406 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.22 | 4.3 | -16.75 | 3 | 7 | 0 | 92 | 335.414 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
