In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 28th, 2010 | 25 | Yes |
Popular Name: N-[(3R)-1-cycloheptyl-3-piperidyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide N-[(3R)-1-cycloheptyl-3-piperidy…
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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) | 2.94 | 8.07 | -81.71 | 3 | 5 | 2 | 41 | 352.567 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.94 | 7.87 | -91.16 | 3 | 5 | 2 | 41 | 352.567 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.94 | 5.92 | -41.51 | 2 | 5 | 1 | 40 | 351.559 | 4 | ↓ |