| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 21st, 2009 | 21 | Yes |
Popular Name: (1S)-2-(3,4-dimethoxyphenyl)-N-ethyl-1-(3-pyridyl)ethanamine (1S)-2-(3,4-dimethoxyphenyl)-N-e…
| 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) | 2.27 | 6.84 | -49.35 | 2 | 4 | 1 | 48 | 287.383 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.27 | 6.01 | -7.73 | 1 | 4 | 0 | 43 | 286.375 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.27 | 7.29 | -110.19 | 3 | 4 | 2 | 49 | 288.391 | 7 | ↓ |
