UCSF

ZINC03676933

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 13 Yes

Popular Name: 2,4-Difluoro-DL-phenylglycine 2,4-Difluoro-DL-phenylglycine

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CAS Numbers: 1374651-47-4 , 240409-02-3 , [240409-02-3]

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) -1.07 -0.42 -46.27 3 3 0 67 187.145 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CA2D1-1-E Voltage-gated Calcium Channel Alpha2/delta Subunit 1 (cluster #1 Of 4), Eukaryotic Eukaryotes 3500 0.59 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CA2D1_MOUSE O08532 Voltage-gated Calcium Channel Alpha2/delta Subunit 1, Mouse 3467.3685 0.59 Binding ≤ 10μM

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