| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 4th, 2010 | 20 | Yes |
Popular Name: 3-[[2-dimethylaminoethyl(isobutyl)amino]methyl]-4-fluoro-benzonitrile 3-[[2-dimethylaminoethyl(isobuty…
| 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) | 2.74 | 10.72 | -117.51 | 2 | 3 | 2 | 33 | 279.403 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.74 | 6.49 | -4.64 | 0 | 3 | 0 | 30 | 277.387 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.74 | 8.23 | -39.77 | 1 | 3 | 1 | 31 | 278.395 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.74 | 8.95 | -39.39 | 1 | 3 | 1 | 31 | 278.395 | 7 | ↓ |
