| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2010 | 20 | Yes |
Popular Name: 2-[4-[[[(1S)-2-(diethylamino)-1-methyl-ethyl]amino]methyl]phenoxy]acetonitrile 2-[4-[[[(1S)-2-(diethylamino)-1-…
| 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) | 2.45 | 6.69 | -44.5 | 2 | 4 | 1 | 53 | 276.404 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.45 | 7.52 | -40.01 | 2 | 4 | 1 | 49 | 276.404 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 2.45 | 8.71 | -123.65 | 3 | 4 | 2 | 54 | 277.412 | 9 | ↓ |
