In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 21st, 2005 | 30 | No |
Popular Name: N-[4-(dioxoBLAHyl)butyl]-3-(3-pyridyl)prop-2-enamide N-[4-(dioxoBLAHyl)butyl]-3-(3-py…
None
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) | 2.64 | -1.26 | -19.33 | 1 | 6 | 0 | 81 | 399.45 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.64 | -1.15 | -50.77 | 2 | 6 | 1 | 82 | 400.458 | 7 | ↓ |
Note Type | Comments | Provided By |
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PUBCHEM_PATENT_ID | WO1999031087A1 | IBM Patent Data |