| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 16th, 2011 | 20 | Yes |
Popular Name: 2-[4-[[(3S)-3-ethyl-3-piperidyl]methyl]piperazin-1-yl]-N,N-dimethyl-ethanamine 2-[4-[[(3S)-3-ethyl-3-piperidyl]…
| 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) | 1.05 | 6.53 | -169.02 | 4 | 4 | 3 | 29 | 285.5 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.05 | 2.23 | -37.89 | 2 | 4 | 1 | 26 | 283.484 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.05 | 4.71 | -81.15 | 3 | 4 | 2 | 28 | 284.492 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
