| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2010 | 24 | No |
Popular Name: 2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[2-oxo-2-(prop-2-ynylamino)ethyl]acetamide 2-[3-(m-tolyl)-5-thioxo-1H-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) | 1.59 | 5.75 | -56.12 | 2 | 7 | -1 | 89 | 342.404 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.86 | 5.65 | -17.01 | 3 | 7 | 0 | 92 | 343.412 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
