| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 19 | Yes |
Popular Name: 2-[4-[[[2-(dimethylamino)-2-methyl-propyl]amino]methyl]phenoxy]acetonitrile 2-[4-[[[2-(dimethylamino)-2-meth…
| 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 | 5.54 | -46.8 | 2 | 4 | 1 | 53 | 262.377 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.18 | 6.4 | -37.88 | 2 | 4 | 1 | 49 | 262.377 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.18 | 7.67 | -123.22 | 3 | 4 | 2 | 54 | 263.385 | 7 | ↓ |
