| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2008 | 19 | No |
Popular Name: (E)-3-[1,3-dimethyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]prop-2-enoic (E)-3-[1,3-dimethyl-5-(4-methylp…
| 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) | 0.45 | 5.46 | -65.5 | 1 | 6 | 0 | 66 | 264.329 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.45 | 3.07 | -60.5 | 1 | 6 | 0 | 66 | 264.329 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.45 | 5.55 | -90.03 | 2 | 6 | 1 | 67 | 265.337 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.45 | 2.98 | -53.1 | 0 | 6 | -1 | 64 | 263.321 | 3 | ↓ |
