| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 19 | Yes |
Popular Name: [4-(4-isobutylpiperazin-1-yl)-1-methyl-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) | 0.65 | 5.12 | -180.65 | 5 | 4 | 3 | 40 | 271.473 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.65 | 2.52 | -35.6 | 3 | 4 | 1 | 37 | 269.457 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.65 | 4.48 | -82.93 | 4 | 4 | 2 | 38 | 270.465 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.65 | 3.43 | -105.36 | 4 | 4 | 2 | 39 | 270.465 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
