| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 19 | Yes |
Popular Name: 3-[4-[(4-methylpiperazin-1-yl)methyl]-1-piperidyl]propanoic 3-[4-[(4-methylpiperazin-1-yl)me…
| 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) | 0.55 | 7.62 | -81.78 | 2 | 5 | 1 | 52 | 270.397 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.55 | 5.03 | -67.01 | 1 | 5 | 0 | 51 | 269.389 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.55 | 3.03 | -43.64 | 0 | 5 | -1 | 50 | 268.381 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.55 | 5.25 | -44.28 | 1 | 5 | 0 | 51 | 269.389 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
