| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 26th, 2010 | 16 | Yes |
Popular Name: N,N-diethyl-N'-[2-(1-piperidyl)ethyl]ethane-1,2-diamine N,N-diethyl-N'-[2-(1-piperidyl)e…
| 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) | 1.47 | 6.71 | -81.33 | 3 | 3 | 2 | 21 | 229.412 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.47 | 4.56 | -31.41 | 2 | 3 | 1 | 20 | 228.404 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.47 | 8.07 | -205.81 | 4 | 3 | 3 | 25 | 230.42 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0927167A1; WO1998006703A1 | IBM Patent Data |
