| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 4th, 2010 | 16 | Yes |
Popular Name: (3S)-3-[2-dimethylaminoethyl(isobutyl)amino]pentanenitrile (3S)-3-[2-dimethylaminoethyl(iso…
| 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) | 1.82 | 7.44 | -42.51 | 1 | 3 | 1 | 31 | 226.388 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.82 | 4.96 | -6.45 | 0 | 3 | 0 | 30 | 225.38 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.82 | 8.69 | -113.67 | 2 | 3 | 2 | 33 | 227.396 | 8 | ↓ |
