UCSF

ZINC02382399

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 16 No

Popular Name: N-Methyltetrafluorophthalimide N-Methyltetrafluorophthalimide

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CAS Number: 33795-85-6

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) 1.31 3.97 -4.36 0 3 0 39 233.12 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 160 TCI
Purity 97% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80548-1-O THP-1 (Acute Monocytic Leukemia Cells) (cluster #1 Of 5), Other Other 413 0.56 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80548 Z80548 THP-1 (Acute Monocytic Leukemia Cells) 413 0.56 Functional ≤ 10μM

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