UCSF

ZINC04214779

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 38 Yes

Popular Name: d-¦Á-tocopheryl succinate d-¦Á-tocopheryl succinate

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CAS Numbers: 14638-18-7 , 17407-37-3 , 4345-03-3

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) 8.78 21.29 -45.8 0 5 -1 76 529.782 17 ↓

Vendor Notes

Note Type Comments Provided By
Purity 96.0%¡«102.0% APIChem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z100500-1-O 4T1 (Mammary Carcinoma Cells) (cluster #1 Of 2), Other Other 10000 0.18 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z100500 Z100500 4T1 (Mammary Carcinoma Cells) 10000 0.18 Functional ≤ 10μM

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