| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 20th, 2010 | 9 | Yes |
Popular Name: Azepan-3-yl-methyl-amine Azepan-3-yl-methyl-amine
Find On: PubMed — Wikipedia — Google
CAS Number: 124695-93-8
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) | 0.43 | 2 | -105.98 | 4 | 2 | 2 | 33 | 130.235 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.43 | 0.71 | -35.01 | 3 | 2 | 1 | 29 | 129.227 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.43 | 0.74 | -36.08 | 3 | 2 | 1 | 29 | 129.227 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 96% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.