In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 20 | Yes |
Popular Name: (7S,8R)-7-(4-ethyl-1-piperidyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine (7S,8R)-7-(4-ethyl-1-piperidyl)-…
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) | 2.48 | 7.26 | -111.1 | 3 | 4 | 2 | 40 | 284.444 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.48 | 3.77 | -2.79 | 1 | 4 | 0 | 34 | 282.428 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.48 | 5.34 | -35.62 | 2 | 4 | 1 | 38 | 283.436 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.48 | 6.16 | -28.62 | 2 | 4 | 1 | 35 | 283.436 | 3 | ↓ |