| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 21 | Yes |
Popular Name: 4-[2-[4-[(1R)-1-methylpropyl]piperazin-1-yl]acetyl]benzonitrile 4-[2-[4-[(1R)-1-methylpropyl]pip…
| 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) | 2.35 | 8.13 | -39.96 | 1 | 4 | 1 | 49 | 286.399 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.35 | 6.18 | -8.92 | 0 | 4 | 0 | 47 | 285.391 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
