| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 20 | Yes |
Popular Name: (1S,2R)-1-(4,4-diethyl-1-piperidyl)-1-(4-pyridyl)propan-2-amine (1S,2R)-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) | 2.07 | 4.76 | -43.74 | 3 | 3 | 1 | 44 | 276.448 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.07 | 4.45 | -2.34 | 2 | 3 | 0 | 42 | 275.44 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.07 | 7.22 | -128.13 | 4 | 3 | 2 | 45 | 277.456 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.07 | 6.91 | -37.61 | 3 | 3 | 1 | 43 | 276.448 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
