| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2009 | 18 | Yes |
Popular Name: (1S,2S)-2-amino-1-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)butan-1-ol (1S,2S)-2-amino-1-(6-bromo-3,4-d…
| 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) | 1.58 | 2.72 | -48.22 | 4 | 4 | 1 | 66 | 317.203 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.58 | 2.47 | -6.27 | 3 | 4 | 0 | 65 | 316.195 | 3 | ↓ |
