In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 25th, 2010 | 29 | Yes |
Popular Name: (2S,5R,6R)-2-[2-methoxy-5-(trifluoromethoxy)phenyl]-6-phenyl-4,7-diazaspiro[4.5]decane (2S,5R,6R)-2-[2-methoxy-5-(trifl…
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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) | 4.61 | 7.12 | -39.77 | 3 | 4 | 1 | 47 | 407.456 | 5 | ↓ |
Lo Low (pH 4.5-6) | 4.61 | 7.18 | -38.59 | 3 | 4 | 1 | 47 | 407.456 | 5 | ↓ |
Note Type | Comments | Provided By |
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PUBCHEM_PATENT_ID | US5393762 | IBM Patent Data |