| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 13 | Yes |
Popular Name: [(3S,6R)-1-cyclobutyl-6-methyl-3-piperidyl]methanamine [(3S,6R)-1-cyclobutyl-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) | 0.91 | 4.93 | -98.18 | 4 | 2 | 2 | 32 | 184.327 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.91 | 4.55 | -28.18 | 3 | 2 | 1 | 30 | 183.319 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.91 | 2.83 | -42.75 | 3 | 2 | 1 | 31 | 183.319 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
