In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 20 | Yes |
Popular Name: (7R,8S)-7-(4-ethyl-1-piperidyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine (7R,8S)-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 | 7.25 | -112.16 | 3 | 4 | 2 | 40 | 284.444 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.48 | 4.54 | -2.29 | 1 | 4 | 0 | 34 | 282.428 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.48 | 5.38 | -35.34 | 2 | 4 | 1 | 38 | 283.436 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.48 | 6.39 | -33.12 | 2 | 4 | 1 | 35 | 283.436 | 3 | ↓ |