| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 13 | Yes |
Popular Name: [(2S,3R)-1-cyclobutyl-3-methyl-2-piperidyl]methanamine [(2S,3R)-1-cyclobutyl-3-methyl-2…
| 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) | 0.94 | 4.75 | -107.52 | 4 | 2 | 2 | 32 | 184.327 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.94 | 2.89 | -43.88 | 3 | 2 | 1 | 31 | 183.319 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.94 | 4.29 | -26.93 | 3 | 2 | 1 | 30 | 183.319 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
