| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 17 | Yes |
Popular Name: 1-isobutyl-4-[(3S,6R)-6-methyl-3-piperidyl]piperazine 1-isobutyl-4-[(3S,6R)-6-methyl-3…
| 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) | 1.86 | 5.42 | -86.77 | 3 | 3 | 2 | 24 | 241.423 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.86 | 3.48 | -36.55 | 2 | 3 | 1 | 23 | 240.415 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.86 | 4.17 | -31.92 | 2 | 3 | 1 | 20 | 240.415 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.86 | 2.23 | -0.87 | 1 | 3 | 0 | 19 | 239.407 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
