In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 29th, 2011 | 16 | Yes |
Popular Name: 2-[4-(2-aminoethyl)-1-piperidyl]-N,N-diethyl-ethanamine 2-[4-(2-aminoethyl)-1-piperidyl]…
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) | 1.16 | 6.62 | -174.02 | 5 | 3 | 3 | 37 | 230.42 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.16 | 4.39 | -81.44 | 4 | 3 | 2 | 35 | 229.412 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.16 | 4.48 | -92.31 | 4 | 3 | 2 | 35 | 229.412 | 7 | ↓ |