| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 16th, 2008 | 20 | No |
Popular Name: cis-vaccenic acid cis-vaccenic acid
(Z)-11-octadecenoic acid; (Z)-octadec-13-enoate; CPD-9247; cis-vaccenate; cis-vaccenic 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 | 14.25 | -43.47 | 0 | 2 | -1 | 40 | 281.46 | 15 | ↓ |
| Lo Low (pH 4.5-6) | 7.58 | 12.27 | -5.22 | 1 | 2 | 0 | 37 | 282.468 | 15 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.23e-04 g/l | DrugBank-experimental |
| UniProt Database Links | GSTK2_CAEEL | ChEBI |
| Patent Database Links | US2007197466; US2008176956 | ChEBI |
No pre-computed analogs available. Try a structural similarity search.