In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 28th, 2005 | 31 | Yes |
Popular Name: (5Z,7E,22E)-(1S,3R,25S)-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,25,26-tetrol (5Z,7E,22E)-(1S,3R,25S)-9,10-sec…
None
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) | 3.81 | -6.06 | -8.56 | 4 | 4 | 0 | 80 | 430.629 | 6 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | EP0617015B1 | IBM Patent Data |