| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2010 | 12 | Yes |
Popular Name: 2H-Azepin-2-one, 3-aminohexahydro-1-(1-methylethyl)- (9CI) 2H-Azepin-2-one, 3-aminohexahydr…
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CAS Number: 206434-43-7
| 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) | 0.11 | 2.89 | -46.1 | 3 | 3 | 1 | 48 | 171.264 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.11 | 1.92 | -6.19 | 2 | 3 | 0 | 46 | 170.256 | 1 | ↓ |
