| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 30th, 2008 | 28 | Yes |
Popular Name: 1-[4-[(3S)-4-[(2-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]-1-piperidyl]ethanone 1-[4-[(3S)-4-[(2-ethoxyphenyl)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) | 1.42 | 5.79 | -48.59 | 2 | 6 | 1 | 57 | 390.548 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.42 | 3.47 | -12.39 | 1 | 6 | 0 | 56 | 389.54 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.42 | 5.69 | -40.71 | 2 | 6 | 1 | 57 | 390.548 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
