| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 5th, 2006 | 24 | No |
Popular Name: 2-[[5-(4-nitrophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone 2-[[5-(4-nitrophenyl)-1H-1,2,4-t…
| 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) | 2.64 | 8.8 | -11.4 | 1 | 8 | 0 | 108 | 347.4 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.64 | 8.63 | -37.68 | 0 | 8 | -1 | 106 | 346.392 | 5 | ↓ |
