In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 3rd, 2011 | 24 | Yes |
Popular Name: N,N-dimethyl-2-[methyl-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]amino]acetamide N,N-dimethyl-2-[methyl-[3-oxo-3-…
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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) | -0.82 | 8.41 | -47.12 | 1 | 8 | 1 | 74 | 335.432 | 6 | ↓ |
Hi High (pH 8-9.5) | -0.82 | 6.12 | -14.78 | 0 | 8 | 0 | 73 | 334.424 | 6 | ↓ |