In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 29th, 2010 | 30 | Yes |
Popular Name: (2R)-2,5,7,8-tetramethyl-2-[(4S,8S)-4,8,12-trimethyltridecyl]chromane (2R)-2,5,7,8-tetramethyl-2-[(4S,…
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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) | 9.14 | 18.65 | -3.52 | 0 | 1 | 0 | 9 | 414.718 | 12 | ↓ |
Lo Low (pH 4.5-6) | 9.14 | 15.22 | -102.46 | 0 | 1 | 0 | 9 | 414.718 | 12 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | EP0672414A3; EP0768314A1; EP1053749A1; US5856345; US5889030 | IBM Patent Data |