| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2008 | 26 | No |
Popular Name: 1-(4-methoxy-3-nitro-phenyl)-2-[[5-(4-pyridyl)-4H-1,2,4-triazol-3-yl]sulfanyl]ethanone 1-(4-methoxy-3-nitro-phenyl)-2-[…
| 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) | 2.23 | 8.4 | -20.58 | 1 | 9 | 0 | 127 | 371.378 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.23 | 8.2 | -46.27 | 0 | 9 | -1 | 125 | 370.37 | 7 | ↓ |
