| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 3rd, 2008 | 22 | Yes |
Popular Name: (1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(3-methoxyphenyl)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) | 1.04 | 6.29 | -55.39 | 3 | 4 | 1 | 55 | 300.378 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.04 | 6 | -9.07 | 2 | 4 | 0 | 54 | 299.37 | 4 | ↓ |
