In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 21st, 2009 | 20 | Yes |
Popular Name: N-[[(2S)-1,4-dioxan-2-yl]methyl]-1-(3-ethoxy-2-methoxy-phenyl)methanamine N-[[(2S)-1,4-dioxan-2-yl]methyl]…
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) | 1.32 | 4.8 | -40.47 | 2 | 5 | 1 | 54 | 282.36 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.32 | 3.47 | -7.54 | 1 | 5 | 0 | 49 | 281.352 | 7 | ↓ |