| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 21 | Yes |
Popular Name: [4-(4-isobutylpiperazin-1-yl)-1-isopropyl-4-piperidyl]methanamine [4-(4-isobutylpiperazin-1-yl)-1-…
| 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) | 1.32 | 6.37 | -182.71 | 5 | 4 | 3 | 40 | 299.527 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.32 | 4.41 | -105.72 | 4 | 4 | 2 | 39 | 298.519 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.32 | 3.7 | -32.93 | 3 | 4 | 1 | 37 | 297.511 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.32 | 6.15 | -81.97 | 4 | 4 | 2 | 38 | 298.519 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
