In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2011 | 21 | Yes |
Popular Name: (7S,8S)-7-(4,4-diethyl-1-piperidyl)-1,4-dioxaspiro[4.5]decan-8-amine (7S,8S)-7-(4,4-diethyl-1-piperid…
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) | 1.97 | 3.87 | -41.46 | 3 | 4 | 1 | 49 | 297.463 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.97 | 5.66 | -124.9 | 4 | 4 | 2 | 51 | 298.471 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.97 | 3.61 | -2.53 | 2 | 4 | 0 | 48 | 296.455 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.97 | 5.37 | -32.41 | 3 | 4 | 1 | 49 | 297.463 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.