In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 12th, 2011 | 25 | No |
Popular Name: 2-[[4-(cyclohexylmethyl)piperazin-1-yl]methyl]isoindoline-1,3-dione 2-[[4-(cyclohexylmethyl)piperazi…
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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) | 3.72 | 9.03 | -38.66 | 1 | 5 | 1 | 47 | 342.463 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.72 | 7.12 | -8.14 | 0 | 5 | 0 | 46 | 341.455 | 4 | ↓ |