| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 22 | Yes |
Popular Name: (2S)-2-ethyl-1-[4-(3-pyridylamino)-1-piperidyl]hexan-1-one (2S)-2-ethyl-1-[4-(3-pyridylamin…
| 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) | 4.32 | 7.58 | -10.96 | 1 | 4 | 0 | 45 | 303.45 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.32 | 8.08 | -38.47 | 2 | 4 | 1 | 46 | 304.458 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
