| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 24th, 2009 | 20 | Yes |
Popular Name: 4-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]aniline 4-[[1,3-benzodioxol-5-ylmethyl(m…
None
| 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) | 2.11 | 6.62 | -43.81 | 3 | 4 | 1 | 49 | 271.34 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.11 | 4.22 | -8.11 | 2 | 4 | 0 | 48 | 270.332 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO1999062882A1 | IBM Patent Data |
