| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2008 | 21 | Yes |
Popular Name: (1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-isohexyloxy-ethanamine (1S)-1-(3,4-dihydro-2H-1,5-benzo…
| 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) | 1.11 | 6.14 | -49.07 | 3 | 4 | 1 | 55 | 294.415 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.11 | 5.86 | -5.2 | 2 | 4 | 0 | 54 | 293.407 | 7 | ↓ |
