| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2011 | 25 | No |
Popular Name: (2E)-2-benzylidene-1-[(3S,5S)-4-(3-methoxypropyl)-3,5-dimethyl-piperazin-1-yl]butan-1-one (2E)-2-benzylidene-1-[(3S,5S)-4-…
| 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) | 3.64 | 8.26 | -7.71 | 0 | 4 | 0 | 33 | 344.499 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.64 | 10.32 | -40.91 | 1 | 4 | 1 | 34 | 345.507 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
