In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 5th, 2008 | 20 | Yes |
Popular Name: N'-(1-benzyl-4-piperidyl)-N,N,N'-trimethyl-ethane-1,2-diamine N'-(1-benzyl-4-piperidyl)-N,N,N'…
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) | 2.19 | 6.46 | -34.12 | 1 | 3 | 1 | 11 | 276.448 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.19 | 6.46 | -36.96 | 1 | 3 | 1 | 11 | 276.448 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.19 | 11.18 | -191.55 | 3 | 3 | 3 | 13 | 278.464 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.19 | 8.93 | -106.68 | 2 | 3 | 2 | 12 | 277.456 | 6 | ↓ |