| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 20th, 2011 | 22 | Yes |
Popular Name: (9Z,12Z)-(7S,8S)-11-dihydroxyoctadeca-9,12-dienoate; CPD-7113 (9Z,12Z)-(7S,8S)-11-dihydroxyoct…
| 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) | 4.32 | 8.06 | -46.7 | 2 | 4 | -1 | 81 | 311.442 | 14 | ↓ |
| Lo Low (pH 4.5-6) | 4.32 | 6.08 | -8.35 | 3 | 4 | 0 | 78 | 312.45 | 14 | ↓ |
No pre-computed analogs available. Try a structural similarity search.