| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2010 | 19 | Yes |
Popular Name: (1S,2S)-2-[(4-tert-butylpiperazin-1-yl)methyl]cycloheptanol (1S,2S)-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) | 3.06 | 4.95 | -32.03 | 2 | 3 | 1 | 28 | 269.453 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.06 | 5.47 | -29.73 | 2 | 3 | 1 | 28 | 269.453 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.06 | 3.34 | -2.03 | 1 | 3 | 0 | 27 | 268.445 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
