| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 13th, 2006 | 27 | No |
Popular Name: 2-{4-nitrophenyl}-5-methyl-4-[1-(octylamino)ethylidene]-2,4-dihydro-3H-pyrazol-3-one 2-{4-nitrophenyl}-5-methyl-4-[1-…
| 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) | 5.61 | -0.2 | -6.65 | 1 | 0 | 0 | 90 | 372.469 | 7 | ↓ |
| Mid Mid (pH 6-8) | 5.61 | 0.8 | -45.47 | 1 | 7 | 1 | 92 | 373.477 | 10 | ↓ |
