In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 1st, 2009 | 23 | No |
Popular Name: 2-[4-amino-2-fluoro-5-(prop-2-ynylamino)phenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione 2-[4-amino-2-fluoro-5-(prop-2-yn…
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) | 2.12 | 5.88 | -12.09 | 3 | 5 | 0 | 77 | 313.332 | 3 | ↓ |
Note Type | Comments | Provided By |
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PUBCHEM_PATENT_ID | US4755215; US4904800; US4978787 | IBM Patent Data |