In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 22nd, 2010 | 20 | Yes |
Popular Name: (1S)-2-butoxy-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methyl-ethanamine (1S)-2-butoxy-1-(3,4-dihydro-2H-…
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) | 2.88 | 6.63 | -41.47 | 2 | 4 | 1 | 44 | 280.388 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.88 | 5.52 | -5.03 | 1 | 4 | 0 | 40 | 279.38 | 7 | ↓ |