| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 21 | Yes |
Popular Name: (1R,2S)-1-(4,4-diethyl-1-piperidyl)-1-(4-pyridyl)butan-2-amine (1R,2S)-1-(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) | 2.61 | 7.59 | -34.54 | 3 | 3 | 1 | 43 | 290.475 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.61 | 6.3 | -41.72 | 3 | 3 | 1 | 44 | 290.475 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.61 | 8.02 | -128.14 | 4 | 3 | 2 | 45 | 291.483 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
