| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2008 | 27 | No |
Popular Name: (4E)-4-[1-(3-imidazol-1-ylpropylamino)ethylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one (4E)-4-[1-(3-imidazol-1-ylpropyl…
| 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) | 1.39 | 10.92 | -57.5 | 2 | 9 | 1 | 112 | 369.405 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.45 | 9.33 | -22.63 | 1 | 9 | 0 | 114 | 368.397 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.45 | 9.37 | -29.34 | 1 | 9 | 0 | 114 | 368.397 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.45 | 9.85 | -42.79 | 2 | 9 | 1 | 115 | 369.405 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.91 | 7.46 | -14.39 | 1 | 9 | 0 | 114 | 368.397 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.39 | 10.41 | -23.52 | 1 | 9 | 0 | 111 | 368.397 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.91 | 7.4 | -13.27 | 1 | 9 | 0 | 114 | 368.397 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.91 | 8.19 | -40.31 | 0 | 9 | -1 | 117 | 367.389 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.91 | 8.7 | -45.42 | 1 | 9 | 0 | 118 | 368.397 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.39 | 10.19 | -26.01 | 1 | 9 | 0 | 111 | 368.397 | 7 | ↓ |
