UCSF

ZINC02039372

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 16 No

Popular Name: Lauryldimethylamine N-oxide Lauryldimethylamine N-oxide

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CAS Number: 1643-20-5

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) 3.27 11.06 -14.77 0 2 0 17 229.408 11 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.50e-04 g/l DrugBank-experimental
Melting_Point 120-123? Alfa-Aesar
Melting_Point 120-123° Alfa-Aesar

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ERG7-2-E Lanosterol Synthase (cluster #2 Of 3), Eukaryotic Eukaryotes 2150 0.50 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ERG7_HUMAN P48449 Lanosterol Synthase, Human 2150 0.50 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of gene expression by SREBF (SREBP)
Cholesterol biosynthesis

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