| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2010 | 20 | Yes |
Popular Name: 2-[2-[[[(1S)-2-(diethylamino)-1-methyl-ethyl]amino]methyl]phenoxy]acetonitrile 2-[2-[[[(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) | 2.40 | 6.74 | -36.16 | 2 | 4 | 1 | 53 | 276.404 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.40 | 7.56 | -37.87 | 2 | 4 | 1 | 49 | 276.404 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 2.40 | 8.77 | -112.54 | 3 | 4 | 2 | 54 | 277.412 | 9 | ↓ |
