In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 7th, 2009 | 20 | Yes |
Popular Name: (2R,3S)-3-(2,4-dichlorophenyl)-2-methyl-4-(1,2,4-triazol-1-yl)butane-1,3-diol (2R,3S)-3-(2,4-dichlorophenyl)-2…
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) | 1.88 | 4.65 | -7.77 | 2 | 5 | 0 | 71 | 316.188 | 5 | ↓ |
Note Type | Comments | Provided By |
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PUBCHEM_PATENT_ID | EP0877739A1; US5869512; US6103909; WO1997031903A1 | IBM Patent Data |