UCSF

ZINC49757222

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 23 No

Popular Name: 9-Octadecen-1-ol, hydrogen sulfate, sodium salt, (Z)-, mixed with sodium hexadecyl sulfate; LS-97767; Lissapol D; Pansofner F; Pentrone T; Pretepon; Pretepon G 9-Octadecen-1-ol, hydrogen sulfa…

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Other Names:

MFCD00072298

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) 5.38 10.3 -39.95 0 4 -1 66 347.541 17 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LOX1-3-E Seed Lipoxygenase-1 (cluster #3 Of 3), Eukaryotic Eukaryotes 700 0.37 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
LOX1_SOYBN P08170 Seed Lipoxygenase-1, Soybn 700 0.37 Binding ≤ 1μM
LOX1_SOYBN P08170 Seed Lipoxygenase-1, Soybn 700 0.37 Binding ≤ 10μM

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

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