| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 16th, 2008 | 18 | No |
Popular Name: Palmitelaidic acid Palmitelaidic acid
9-hexadecenoate; 9-hexadecenoate(1-); hexadec-9-enoate(1-)
9-Hexadecenoic acid, (9E)-; 9-Hexadecenoic acid, (E)-; AI3-36444; LS-162994
| 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) | 6.57 | 11.92 | -45.23 | 0 | 2 | -1 | 40 | 253.406 | 13 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 4.47e-04 g/l | DrugBank-experimental |
| PUBCHEM_PATENT_ID | EP0088046A2; EP0475160B1; US4619794 | IBM Patent Data |
