| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 30th, 2010 | 16 | Yes |
Popular Name: (2S)-1-(dimethylamino)-3-[[(1S,2R)-2-ethylcyclohexyl]amino]propan-2-ol (2S)-1-(dimethylamino)-3-[[(1S,2…
| 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) | 2.13 | 5.09 | -100.2 | 4 | 3 | 2 | 41 | 230.396 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.13 | 5.67 | -38.14 | 3 | 3 | 1 | 44 | 229.388 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.13 | 2.53 | -36.49 | 3 | 3 | 1 | 40 | 229.388 | 6 | ↓ |
