| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 4th, 2010 | 12 | Yes |
Popular Name: 1-(3-Pyrrolidinyl)azepane dihydrochloride 1-(3-Pyrrolidinyl)azepane dihydr…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1220020-30-3 , N/A , [1220020-30-3]
| 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) | 1.66 | 3.43 | -36.36 | 2 | 2 | 1 | 20 | 169.292 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.66 | 3.88 | -30.39 | 2 | 2 | 1 | 16 | 169.292 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.66 | 5.31 | -105.07 | 3 | 2 | 2 | 21 | 170.3 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
