| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2009 | 20 | Yes |
Popular Name: (3S)-3-[[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]pentanenitrile (3S)-3-[[(2S)-2-(dimethylamino)-…
| 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) | 2.07 | 8.15 | -40.08 | 2 | 4 | 1 | 49 | 276.404 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.07 | 5.84 | -8.3 | 1 | 4 | 0 | 48 | 275.396 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.07 | 5.66 | -46.67 | 2 | 4 | 1 | 53 | 276.404 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.07 | 7.99 | -123.54 | 3 | 4 | 2 | 54 | 277.412 | 8 | ↓ |
