UCSF

ZINC13508536

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 20 Yes

Popular Name: (9Z,12Z,15Z)-Octadeca-9,12,15-trienoic acid (9Z,12Z,15Z)-Octadeca-9,12,15-tr…

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CAS Numbers: 463-40-1 , [463-40-1]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) 5.84 12.89 -45.48 0 2 -1 40 277.428 13 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 7.11 Bitter DB

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.