| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 31st, 2006 | 23 | No |
Popular Name: 4-(1-isobutyliminoethyl)-5-methyl-2-(4-nitrophenyl)-1H-pyrazol-3-one 4-(1-isobutyliminoethyl)-5-methy…
| 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) | 2.62 | 7.47 | -15.56 | 1 | 7 | 0 | 96 | 316.361 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.27 | 7.92 | -42.92 | 1 | 7 | 1 | 92 | 317.369 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.08 | 7.33 | -35.04 | 0 | 7 | -1 | 99 | 315.353 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.62 | 7.43 | -23.11 | 1 | 7 | 0 | 96 | 316.361 | 5 | ↓ |
