| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 20 | Yes |
Popular Name: (1S,2S)-1-(4-ethyl-4-methyl-1-piperidyl)-1-(4-pyridyl)butan-2-amine (1S,2S)-1-(4-ethyl-4-methyl-1-pi…
| 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) | 2.27 | 6.9 | -35.06 | 3 | 3 | 1 | 43 | 276.448 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.27 | 7.23 | -122.3 | 4 | 3 | 2 | 45 | 277.456 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.27 | 5.8 | -44.55 | 3 | 3 | 1 | 44 | 276.448 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
