| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 4th, 2008 | 27 | No |
Popular Name: (4E)-5-methyl-2-(4-nitrophenyl)-4-[1-(2-piperazin-1-ylethylamino)ethylidene]pyrazol-3-one (4E)-5-methyl-2-(4-nitrophenyl)-…
| 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) | 0.76 | 5.58 | -59.06 | 3 | 9 | 1 | 113 | 373.437 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.76 | 3.99 | -16.52 | 2 | 9 | 0 | 108 | 372.429 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.76 | 4.22 | -15.53 | 2 | 9 | 0 | 108 | 372.429 | 6 | ↓ |
