| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2009 | 20 | Yes |
Popular Name: (1S)-1-(3,4-dimethoxyphenyl)-N-ethyl-N-isobutyl-ethane-1,2-diamine (1S)-1-(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) | 1.87 | 5.91 | -131.52 | 4 | 4 | 2 | 51 | 282.428 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.87 | 6.14 | -33.91 | 3 | 4 | 1 | 49 | 281.42 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.87 | 4.75 | -50.89 | 3 | 4 | 1 | 49 | 281.42 | 8 | ↓ |
