| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2010 | 18 | Yes |
Popular Name: (1S,2R)-2-[(4-tert-butylpiperazin-1-yl)methyl]cyclohexanol (1S,2R)-2-[(4-tert-butylpiperazi…
| 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) | 2.56 | 4.47 | -31.99 | 2 | 3 | 1 | 28 | 255.426 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.56 | 4.66 | -28.89 | 2 | 3 | 1 | 28 | 255.426 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.56 | 2.53 | -2.52 | 1 | 3 | 0 | 27 | 254.418 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
