In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 5th, 2008 | 22 | Yes |
Popular Name: N'-(1-benzyl-4-piperidyl)-N,N-diethyl-N'-methyl-ethane-1,2-diamine N'-(1-benzyl-4-piperidyl)-N,N-di…
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) | 2.94 | 7.84 | -32.66 | 1 | 3 | 1 | 11 | 304.502 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.94 | 7.81 | -36.34 | 1 | 3 | 1 | 11 | 304.502 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.94 | 12.56 | -193.61 | 3 | 3 | 3 | 13 | 306.518 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.94 | 10.3 | -107.24 | 2 | 3 | 2 | 12 | 305.51 | 8 | ↓ |