| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 29th, 2006 | 22 | No |
Popular Name: 4-[1-(2-hydroxyethylamino)ethylidene]-5-methyl-2-(4-nitrophenyl)-pyrazol-3-one 4-[1-(2-hydroxyethylamino)ethyli…
| 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) | 0.87 | 2.64 | -19.31 | 2 | 8 | 0 | 116 | 304.306 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.52 | -2.62 | -42.65 | 2 | 8 | 1 | 112 | 305.314 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.32 | 2.44 | -40.43 | 1 | 8 | -1 | 119 | 303.298 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.87 | 2.68 | -27.59 | 2 | 8 | 0 | 116 | 304.306 | 5 | ↓ |
