| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 23rd, 2009 | 18 | Yes |
Popular Name: (2S)-1-(allylamino)-3-(2,3,6-trimethylphenoxy)propan-2-ol (2S)-1-(allylamino)-3-(2,3,6-tri…
| 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) | 2.63 | 5.63 | -45.91 | 3 | 3 | 1 | 46 | 250.362 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.63 | 4.11 | -6.03 | 2 | 3 | 0 | 41 | 249.354 | 7 | ↓ |
