| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 17 | Yes |
Popular Name: [(1S,2R)-2-(4-isopropylpiperazin-1-yl)cyclohexyl]methanamine [(1S,2R)-2-(4-isopropylpiperazin…
| 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) | 1.48 | 4.82 | -92.63 | 4 | 3 | 2 | 35 | 241.423 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.48 | 2.41 | -43.28 | 3 | 3 | 1 | 34 | 240.415 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.48 | 4.09 | -111.11 | 4 | 3 | 2 | 35 | 241.423 | 3 | ↓ |
