| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2009 | 20 | Yes |
Popular Name: (1S)-N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-(5-chloro-2-thienyl)ethanamine (1S)-N-[(6-bromo-1,3-benzodioxol…
| 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) | 4.78 | 7.77 | -42.43 | 2 | 3 | 1 | 35 | 375.695 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.78 | 6.55 | -5.18 | 1 | 3 | 0 | 30 | 374.687 | 4 | ↓ |
