In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 31st, 2009 | 27 | Yes |
Popular Name: 1-phenyl-8-(3,3,5,5-tetramethylcyclohexyl)-1,3,8-triazaspiro[4.5]decan-4-one 1-phenyl-8-(3,3,5,5-tetramethylc…
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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) | 4.46 | 10.21 | -35.33 | 2 | 4 | 1 | 37 | 370.561 | 2 | ↓ |
Hi High (pH 8-9.5) | 4.46 | 8 | -5.09 | 1 | 4 | 0 | 36 | 369.553 | 2 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | US6043366 | IBM Patent Data |