| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2010 | 16 | Yes |
Popular Name: (2S)-N'-ethyl-N'-[(2S)-2-ethylhexyl]-2-methyl-propane-1,3-diamine (2S)-N'-ethyl-N'-[(2S)-2-ethylhe…
| 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) | 3.46 | 7.78 | -102.6 | 4 | 2 | 2 | 32 | 230.44 | 10 | ↓ |
| Hi High (pH 8-9.5) | 3.46 | 7.4 | -31.16 | 3 | 2 | 1 | 30 | 229.432 | 10 | ↓ |
| Hi High (pH 8-9.5) | 3.46 | 5.46 | -40.66 | 3 | 2 | 1 | 31 | 229.432 | 10 | ↓ |
