| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2010 | 18 | Yes |
Popular Name: 3-[[[2-(dimethylamino)-2-methyl-propyl]amino]methyl]-4-fluoro-benzonitrile 3-[[[2-(dimethylamino)-2-methyl-…
| 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) | 2.18 | 8.1 | -118.07 | 3 | 3 | 2 | 45 | 251.349 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.18 | 4.87 | -4.39 | 1 | 3 | 0 | 39 | 249.333 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.18 | 6.02 | -42.38 | 2 | 3 | 1 | 44 | 250.341 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.18 | 6.82 | -33.73 | 2 | 3 | 1 | 40 | 250.341 | 5 | ↓ |
