| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 30th, 2009 | 11 | Yes |
Popular Name: (2-azepan-1-ylethyl)methylamine (2-azepan-1-ylethyl)methylamine
Find On: PubMed — Wikipedia — Google
CAS Number: 118808-13-2
1H-azepine-1-ethanamine, hexahydro-N-methyl-
2-(Azepan-1-yl)-N-methylethanamine
| 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) | 1.54 | 5.13 | -108.64 | 3 | 2 | 2 | 21 | 158.289 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.54 | 3.69 | -31.16 | 2 | 2 | 1 | 16 | 157.281 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.54 | 3.29 | -36.61 | 2 | 2 | 1 | 20 | 157.281 | 3 | ↓ |
