| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 18 | No |
Popular Name: [4-(4-isobutylpiperazin-1-yl)tetrahydrothiopyran-4-yl]methanamine [4-(4-isobutylpiperazin-1-yl)tet…
| 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) | 1.15 | 5.14 | -105.9 | 4 | 3 | 2 | 35 | 273.49 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.15 | 3.26 | -45.76 | 3 | 3 | 1 | 34 | 272.482 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
