| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 20th, 2009 | 15 | Yes |
Popular Name: N-[[(2S)-1,4-dioxan-2-yl]methyl]-1-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) | 1.13 | 4.56 | -40.53 | 2 | 3 | 1 | 35 | 208.281 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.13 | 3.2 | -4.09 | 1 | 3 | 0 | 30 | 207.273 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0658160A1; EP0707571A1; EP0707571B1; EP0794949A1; EP0794949B1; EP0861248A1; EP1057820A1; US5235055; US5245051; US5750724; US5977106; WO1994005655A1; WO1997017343A1 | IBM Patent Data |
