In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 21 | Yes |
Popular Name: (7R,8R)-N-ethyl-7-(4-ethyl-1-piperidyl)-1,4-dioxaspiro[4.5]decan-8-amine (7R,8R)-N-ethyl-7-(4-ethyl-1-pip…
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) | 2.86 | 7.65 | -112.4 | 3 | 4 | 2 | 40 | 298.471 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.86 | 4.25 | -2.61 | 1 | 4 | 0 | 34 | 296.455 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.86 | 5.85 | -35.1 | 2 | 4 | 1 | 38 | 297.463 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.86 | 6.58 | -28.59 | 2 | 4 | 1 | 35 | 297.463 | 4 | ↓ |