UCSF

ZINC08221125

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 4th, 2006 20 No

Popular Name: stearolic acid stearolic acid

Find On: PubMed — Wikipedia — Google

CAS Number: 506-24-1

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) 7.19 3.2 -47.22 0 2 -1 40 279.444 13 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 189-190?/2mm Alfa-Aesar
Boiling_Point 189-190°/2mm Alfa-Aesar
Melting_Point 43-47? Alfa-Aesar
Melting_Point 43-47° Alfa-Aesar
Patent Database Links EP1666092 ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HMDH-1-E HMG-CoA Reductase (cluster #1 Of 2), Eukaryotic Eukaryotes 5000 0.37 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HMDH_HUMAN P04035 HMG-CoA Reductase, Human 5000 0.37 Binding ≤ 10μM

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