| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 23 | Yes |
Popular Name: 1-[4-[[4-[(2S)-2-hydroxy-3,3-dimethyl-butyl]piperazin-1-yl]methyl]-1-piperidyl]ethanone 1-[4-[[4-[(2S)-2-hydroxy-3,3-dim…
| 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) | 1.46 | 5.24 | -47.42 | 2 | 5 | 1 | 48 | 326.505 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.46 | 3.35 | -9.61 | 1 | 5 | 0 | 47 | 325.497 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
