| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 21 | Yes |
Popular Name: 2-[4-[(1R)-1-methylpropyl]piperazin-1-yl]-1-(4-methylsulfanylphenyl)ethanone 2-[4-[(1R)-1-methylpropyl]pipera…
| 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) | 3.02 | 8.75 | -35.53 | 1 | 3 | 1 | 25 | 307.483 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.02 | 6.8 | -6.61 | 0 | 3 | 0 | 24 | 306.475 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
