| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 31st, 2009 | 17 | Yes |
Popular Name: 3-[(isopropylamino)methyl]-2,4-dihydro-1,5-benzodioxepin-3-ol 3-[(isopropylamino)methyl]-2,4-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) | 1.35 | 3.73 | -37.64 | 3 | 4 | 1 | 55 | 238.307 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.35 | 2.81 | -4.21 | 2 | 4 | 0 | 51 | 237.299 | 3 | ↓ |
