| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 15 | Yes |
Popular Name: (2S)-3-[2-diethylaminoethyl(ethyl)amino]-2-methyl-propanenitrile (2S)-3-[2-diethylaminoethyl(ethy…
| 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) | 2.03 | 6.68 | -40.19 | 1 | 3 | 1 | 31 | 212.361 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.03 | 4.54 | -3.97 | 0 | 3 | 0 | 30 | 211.353 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.03 | 8.58 | -121.45 | 2 | 3 | 2 | 33 | 213.369 | 8 | ↓ |
