| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 4th, 2010 | 15 | Yes |
Popular Name: 2-[(4-methyl-1-piperidinyl)methyl]azepane dioxalate 2-[(4-methyl-1-piperidinyl)methy…
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CAS Number: 1177297-32-3
| 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) | 2.68 | 7.78 | -114.01 | 3 | 2 | 2 | 21 | 212.381 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.68 | 6.75 | -30.53 | 2 | 2 | 1 | 16 | 211.373 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.68 | 6.16 | -32.22 | 2 | 2 | 1 | 20 | 211.373 | 2 | ↓ |
