| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 3rd, 2008 | 22 | Yes |
Popular Name: (S)-3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-isopropylphenyl)methanamine (S)-3,4-dihydro-2H-1,5-benzodiox…
| 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) | 4.19 | 8.1 | -54.27 | 3 | 3 | 1 | 46 | 298.406 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.19 | 7.77 | -6.9 | 2 | 3 | 0 | 44 | 297.398 | 3 | ↓ |
