| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 18th, 2009 | 15 | Yes |
Popular Name: (2S)-1-(dimethylamino)-3-[[(1S,2R)-2-methylcyclohexyl]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) | 1.63 | 4.05 | -100.16 | 4 | 3 | 2 | 41 | 216.369 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.63 | 4.6 | -39.49 | 3 | 3 | 1 | 44 | 215.361 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.63 | 1.64 | -37.14 | 3 | 3 | 1 | 40 | 215.361 | 5 | ↓ |
