| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 4th, 2010 | 11 | Yes |
Popular Name: 2-azepanyl-N,N-dimethylmethanamine oxalate 2-azepanyl-N,N-dimethylmethanami…
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CAS Number: 1177271-83-8
| 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) | 1.53 | 5.29 | -109.01 | 3 | 2 | 2 | 21 | 158.289 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.53 | 3.43 | -30.81 | 2 | 2 | 1 | 20 | 157.281 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.53 | 4.24 | -30.53 | 2 | 2 | 1 | 16 | 157.281 | 2 | ↓ |
