| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 17th, 2009 | 19 | Yes |
Popular Name: (3S)-3-[[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]butanenitrile (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) | 1.53 | 7.55 | -39.94 | 2 | 4 | 1 | 49 | 262.377 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.53 | 5.09 | -8.73 | 1 | 4 | 0 | 48 | 261.369 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.53 | 7.37 | -122.13 | 3 | 4 | 2 | 54 | 263.385 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.53 | 5.3 | -45.51 | 2 | 4 | 1 | 53 | 262.377 | 7 | ↓ |
