| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 30th, 2008 | 27 | Yes |
Popular Name: 2-[(2S)-1-(1-isopropyl-4-piperidyl)-4-[(3-methylsulfanylphenyl)methyl]piperazin-2-yl]ethanol 2-[(2S)-1-(1-isopropyl-4-piperid…
None
| 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) | 2.76 | 6.32 | -35.05 | 2 | 4 | 1 | 31 | 392.633 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.76 | 6.18 | -35.64 | 2 | 4 | 1 | 31 | 392.633 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.76 | 8.57 | -89.25 | 3 | 4 | 2 | 32 | 393.641 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.76 | 8.38 | -101.89 | 3 | 4 | 2 | 32 | 393.641 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
