| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2010 | 21 | Yes |
Popular Name: 3-[3-[2-dimethylaminoethyl(propyl)amino]propoxy]benzonitrile 3-[3-[2-dimethylaminoethyl(propy…
| 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) | 2.93 | 8.46 | -42 | 1 | 4 | 1 | 41 | 290.431 | 10 | ↓ |
| Hi High (pH 8-9.5) | 2.93 | 5.98 | -6.35 | 0 | 4 | 0 | 40 | 289.423 | 10 | ↓ |
| Mid Mid (pH 6-8) | 2.93 | 8.13 | -43.26 | 1 | 4 | 1 | 41 | 290.431 | 10 | ↓ |
| Mid Mid (pH 6-8) | 2.93 | 10.6 | -117.09 | 2 | 4 | 2 | 42 | 291.439 | 10 | ↓ |
