| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 14 | Yes |
Popular Name: (2S)-3-[2-diethylaminoethyl(methyl)amino]-2-methyl-propanenitrile (2S)-3-[2-diethylaminoethyl(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) | 1.66 | 5.85 | -37.77 | 1 | 3 | 1 | 31 | 198.334 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.66 | 3.7 | -4.58 | 0 | 3 | 0 | 30 | 197.326 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.66 | 7.89 | -119.53 | 2 | 3 | 2 | 33 | 199.342 | 7 | ↓ |
