In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 5th, 2008 | 21 | Yes |
Popular Name: N-(1-benzyl-4-piperidyl)-N-ethyl-N',N'-dimethyl-ethane-1,2-diamine N-(1-benzyl-4-piperidyl)-N-ethyl…
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) | 2.57 | 6.85 | -32.78 | 1 | 3 | 1 | 11 | 290.475 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.57 | 9.65 | -84.9 | 2 | 3 | 2 | 12 | 291.483 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.57 | 11.57 | -191.2 | 3 | 3 | 3 | 13 | 292.491 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.57 | 9.33 | -105.86 | 2 | 3 | 2 | 12 | 291.483 | 7 | ↓ |