In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 2nd, 2010 | 21 | Yes |
Popular Name: 3-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]benzonitrile 3-[2-[4-(2-methoxyethyl)piperazi…
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) | 1.63 | 5.83 | -37.15 | 1 | 5 | 1 | 50 | 290.387 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.63 | 5.74 | -42.89 | 1 | 5 | 1 | 50 | 290.387 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.63 | 3.49 | -8.21 | 0 | 5 | 0 | 49 | 289.379 | 7 | ↓ |