| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2010 | 21 | Yes |
Popular Name: (1R,2S,4R)-2-[(4-tert-butylpiperazin-1-yl)methyl]-4-propyl-cyclohexanol (1R,2S,4R)-2-[(4-tert-butylpiper…
| 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) | 3.81 | 6.48 | -32.81 | 2 | 3 | 1 | 28 | 297.507 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.81 | 6.68 | -29.07 | 2 | 3 | 1 | 28 | 297.507 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.81 | 4.54 | -2.32 | 1 | 3 | 0 | 27 | 296.499 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
