| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 19 | No |
Popular Name: (E)-3-(3-chloro-4-methyl-phenyl)-1-(4-methylpiperazin-1-yl)prop-2-en-1-one (E)-3-(3-chloro-4-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) | 2.96 | 6.52 | -7.54 | 0 | 3 | 0 | 24 | 278.783 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.96 | 8.87 | -43.64 | 1 | 3 | 1 | 25 | 279.791 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
