| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 4th, 2006 | 20 | No |
Popular Name: trans-vaccenic acid trans-vaccenic acid
Find On: PubMed — Wikipedia — Google
CAS Number: 693-72-1
(11E)-Octadecenoic acid; 693-72-1; C08367; Vaccenic acid; trans-11-Octadecenoic acid
| 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) | 7.58 | 13.46 | -45.21 | 0 | 2 | -1 | 40 | 281.46 | 15 | ↓ |
| Lo Low (pH 4.5-6) | 7.58 | 12.34 | -6.69 | 1 | 2 | 0 | 37 | 282.468 | 15 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Patent Database Links | EP0947523; EP1731602; US2003065023; US2004122094; US2005130881; US2007269379; US2008090803; US2008153899 | ChEBI |
| UniProt Database Links | GSTK2_CAEEL | ChEBI |
| UniProt Database Links | GSTK2_CAEEL; NEPU1_THEVU; NEPU2_THEVU | ChEBI |
