| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2010 | 19 | Yes |
Popular Name: (1R,2R)-2-[(4-isobutylpiperazin-1-yl)methyl]cycloheptanol (1R,2R)-2-[(4-isobutylpiperazin-…
| 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) | 3.00 | 6.26 | -32.64 | 2 | 3 | 1 | 28 | 269.453 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.00 | 4.37 | -1.91 | 1 | 3 | 0 | 27 | 268.445 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.00 | 5.82 | -32.23 | 2 | 3 | 1 | 28 | 269.453 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
