| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2010 | 12 | Yes |
Popular Name: 2H-Azepin-2-one, 3-aminohexahydro-1-(2-propenyl)-, (3S)- (9CI) 2H-Azepin-2-one, 3-aminohexahydr…
Find On: PubMed — Wikipedia — Google
CAS Number: 643043-80-5
| 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) | 0.08 | 2.89 | -47.46 | 3 | 3 | 1 | 48 | 169.248 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.08 | 2.91 | -7.22 | 2 | 3 | 0 | 46 | 168.24 | 2 | ↓ |
