In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 14th, 2010 | 26 | Yes |
Popular Name: N,N-diethyl-2-[4-[2-[(2R)-2-ethyl-1-piperidyl]-2-oxo-ethyl]-1,4-diazepan-1-yl]acetamide N,N-diethyl-2-[4-[2-[(2R)-2-ethy…
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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) | 1.73 | 8.7 | -42.11 | 1 | 6 | 1 | 48 | 367.558 | 7 | ↓ |
Lo Low (pH 4.5-6) | 1.73 | 9.05 | -41.73 | 1 | 6 | 1 | 48 | 367.558 | 7 | ↓ |
Lo Low (pH 4.5-6) | 1.73 | 10.91 | -118.86 | 2 | 6 | 2 | 49 | 368.566 | 7 | ↓ |