| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 10th, 2010 | 12 | Yes |
Popular Name: (3S)-3-[2-dimethylaminoethyl(methyl)amino]butanenitrile (3S)-3-[2-dimethylaminoethyl(met…
| 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) | 0.16 | 4.14 | -40.34 | 1 | 3 | 1 | 31 | 170.28 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.16 | 1.67 | -7.01 | 0 | 3 | 0 | 30 | 169.272 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.16 | 6.15 | -109.62 | 2 | 3 | 2 | 33 | 171.288 | 5 | ↓ |
