In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 28th, 2006 | 14 | Yes |
Popular Name: Bis-(1-methyl-1h-imidazol-2-yl)-methanone Bis-(1-methyl-1h-imidazol-2-yl)-…
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CAS Number: 62366-40-9
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) | -0.28 | 5.38 | -13.09 | 0 | 5 | 0 | 53 | 190.206 | 2 | ↓ |
Mid Mid (pH 6-8) | -0.28 | 6.47 | -88.69 | 2 | 5 | 2 | 55 | 192.222 | 2 | ↓ |
Mid Mid (pH 6-8) | -0.28 | 6.08 | -28.5 | 1 | 5 | 1 | 54 | 191.214 | 2 | ↓ |
Note Type | Comments | Provided By |
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PUBCHEM_PATENT_ID | EP0932598A1; WO1998016502A1 | IBM Patent Data |