| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 20 | No |
Popular Name: (E)-3-(2-methoxy-5-methyl-phenyl)-1-(4-methylpiperazin-1-yl)prop-2-en-1-one (E)-3-(2-methoxy-5-methyl-phenyl…
| 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) | 2.16 | 5.44 | -11.04 | 0 | 4 | 0 | 33 | 274.364 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.16 | 7.8 | -47.52 | 1 | 4 | 1 | 34 | 275.372 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
