| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 23 | No |
Popular Name: (E)-3-(4-isopropoxy-3-methoxy-phenyl)-1-(4-methylpiperazin-1-yl)prop-2-en-1-one (E)-3-(4-isopropoxy-3-methoxy-ph…
| 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) | 2.29 | 6.16 | -11.78 | 0 | 5 | 0 | 42 | 318.417 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.29 | 8.54 | -50.45 | 1 | 5 | 1 | 43 | 319.425 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
