| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 18th, 2008 | 25 | No |
Popular Name: 2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[(1S)-1-(4-pyridyl)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) | 2.49 | 8.55 | -57.66 | 1 | 6 | -1 | 73 | 352.443 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.76 | 8.71 | -20.01 | 2 | 6 | 0 | 76 | 353.451 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.76 | 9.15 | -58.42 | 3 | 6 | 1 | 77 | 354.459 | 5 | ↓ |
