| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 12th, 2009 | 18 | Yes |
Popular Name: 3-[[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]propanenitrile 3-[[(2S)-2-(dimethylamino)-2-(3-…
| 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) | 0.85 | 5.59 | -45.05 | 2 | 4 | 1 | 49 | 248.35 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.85 | 3.3 | -8.95 | 1 | 4 | 0 | 48 | 247.342 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.85 | 4.87 | -54.67 | 2 | 4 | 1 | 53 | 248.35 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.85 | 6.88 | -130.82 | 3 | 4 | 2 | 54 | 249.358 | 7 | ↓ |
