In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 22nd, 2009 | 20 | Yes |
Popular Name: N-[1-(4,6-dimethylpyrimidin-2-yl)-4-piperidyl]-N',N'-dimethyl-ethane-1,2-diamine N-[1-(4,6-dimethylpyrimidin-2-yl…
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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) | 1.84 | 5.34 | -45.08 | 2 | 5 | 1 | 49 | 278.424 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.84 | 8.24 | -39.13 | 2 | 5 | 1 | 45 | 278.424 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.84 | 5.78 | -6.22 | 1 | 5 | 0 | 44 | 277.416 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.84 | 7.88 | -120.14 | 3 | 5 | 2 | 50 | 279.432 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.84 | 8.24 | -175.03 | 4 | 5 | 3 | 51 | 280.44 | 5 | ↓ |