| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 1st, 2009 | 30 | No |
Popular Name: (3E,5E)-1-isopropyl-3,5-bis[(4-nitrophenyl)methylene]piperidin-4-one (3E,5E)-1-isopropyl-3,5-bis[(4-n…
| 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) | 4.54 | 12.05 | -13.13 | 0 | 8 | 0 | 112 | 407.426 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 4.54 | 14.22 | -59.03 | 1 | 8 | 1 | 113 | 408.434 | 5 | ↓ |
