In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 27th, 2010 | 19 | Yes |
Popular Name: N-benzyl-2-[(2R)-1,4-dimethylpiperazin-2-yl]-N-methyl-ethanamine N-benzyl-2-[(2R)-1,4-dimethylpip…
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) | 1.92 | 5.75 | -33.45 | 1 | 3 | 1 | 11 | 262.421 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.92 | 5.83 | -35.31 | 1 | 3 | 1 | 11 | 262.421 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.92 | 3.44 | -2.74 | 0 | 3 | 0 | 10 | 261.413 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.92 | 8.1 | -101.42 | 2 | 3 | 2 | 12 | 263.429 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.92 | 5.79 | -38.08 | 1 | 3 | 1 | 11 | 262.421 | 5 | ↓ |