In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 29th, 2010 | 31 | Yes |
Popular Name: (5Z,7E)-(1S,3R,23S)-9,10-seco-5,7,10( 19)-cholestatriene-1,3,23,25-tetrol (5Z,7E)-(1S,3R,23S)-9,10-seco-5,…
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) | 4.41 | 5.26 | -7.18 | 4 | 4 | 0 | 81 | 432.645 | 6 | ↓ |
Note Type | Comments | Provided By |
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PUBCHEM_PATENT_ID | EP0377743B1; US5218109 | IBM Patent Data |