| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2009 | 19 | Yes |
Popular Name: (2S)-3-[[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-2-methyl-propanenitrile (2S)-3-[[(2R)-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) | 1.92 | 6.35 | -44.48 | 2 | 4 | 1 | 49 | 262.377 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.92 | 4.02 | -6.91 | 1 | 4 | 0 | 48 | 261.369 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.92 | 5.22 | -52.27 | 2 | 4 | 1 | 53 | 262.377 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.92 | 7.48 | -130.15 | 3 | 4 | 2 | 54 | 263.385 | 7 | ↓ |
