| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 4th, 2010 | 21 | Yes |
Popular Name: 4-[2-[2-dimethylaminoethyl(isobutyl)amino]ethoxy]benzonitrile 4-[2-[2-dimethylaminoethyl(isobu…
| 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) | 2.93 | 8.8 | -41.36 | 1 | 4 | 1 | 41 | 290.431 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.93 | 6.61 | -5.58 | 0 | 4 | 0 | 40 | 289.423 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 2.93 | 10.64 | -120.34 | 2 | 4 | 2 | 42 | 291.439 | 9 | ↓ |
