| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 2nd, 2009 | 18 | Yes |
Popular Name: 2-Azepan-1-yl-2-(4-methoxy-phenyl)-ethylamine 2-Azepan-1-yl-2-(4-methoxy-pheny…
Find On: PubMed — Wikipedia — Google
CAS Number: 879643-87-5
| 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) | 2.20 | 6.02 | -121.33 | 4 | 3 | 2 | 41 | 250.386 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.20 | 4.78 | -50.01 | 3 | 3 | 1 | 40 | 249.378 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.20 | 6.28 | -30.77 | 3 | 3 | 1 | 40 | 249.378 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
