| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 24th, 2009 | 21 | Yes |
Popular Name: (2R,3S)-1-benzhydryl-N,N,2-trimethyl-azetidin-3-amine (2R,3S)-1-benzhydryl-N,N,2-trime…
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) | 3.73 | 9.69 | -30.95 | 1 | 2 | 1 | 8 | 281.423 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.73 | 7.41 | -2.45 | 0 | 2 | 0 | 6 | 280.415 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.73 | 12.07 | -110.98 | 2 | 2 | 2 | 9 | 282.431 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.73 | 9.81 | -36.5 | 1 | 2 | 1 | 8 | 281.423 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0406112B1; US5073646 | IBM Patent Data |
