UCSF

ZINC01666662

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 12 No

Popular Name: Tetrafluorosuccinic acid Tetrafluorosuccinic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 126996-02-9 , 377-38-8 , [377-38-8]

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) 0.09 1.99 -94.97 0 4 -2 80 188.032 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 116 TCI
MP 118-121° Matrix Scientific
MP 119 - 121 Enamine Building Blocks
MP 119...121 Enamine Building Blocks
MP 120 - 121 Enamine Building Blocks
BP 120 / 1 TCI
MP 121 - 121 Enamine Building Blocks
MP 121 - 123 Enamine Building Blocks
Boiling_Point 150?/15mm Alfa-Aesar
Boiling_Point 150°/15mm Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Matrix Scientific
Melting_Point ca 115? Alfa-Aesar
Melting_Point ca 115° Alfa-Aesar
Warnings Corrosive/Irritant Matrix Scientific
Warnings IRRITANT, CORROSIVE Matrix Scientific

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
A3EZI9-3-V Hepatitis C Virus NS3 Protease/helicase (cluster #3 Of 3), Viral Viruses 5200 0.62 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
A3EZI9_9HEPC A3EZI9 Hepatitis C Virus NS3 Protease/helicase, 9hepc 5200 0.62 Binding ≤ 10μM

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