In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2008 | 20 | Yes |
Popular Name: (1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(1,1-dimethylpropoxy)ethanamine (1R)-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) | 0.88 | 5.16 | -48.89 | 3 | 4 | 1 | 55 | 280.388 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.88 | 4.75 | -6.84 | 2 | 4 | 0 | 54 | 279.38 | 5 | ↓ |