UCSF

ZINC89223957

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2013 25 Yes

Popular Name: (S)-4,4-DIFLUOROPYRROLIDINE-2-CARBOXYLIC ACID 2,2,2-TRIFLUOROACETIC ACID (S)-4,4-DIFLUOROPYRROLIDINE-2-CA…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1073555-68-6 , 1354949-90-8 , 1373255-09-4 , 1588480-37-8 , 52683-81-5 , 72180-29-1 , N/A , [1373255-09-4]

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
Hi High (pH 8-9.5) -4.43 -10.03 -52.3 7 12 -1 209 365.315 7 ↓

Vendor Notes

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

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

No pre-computed analogs available. Try a structural similarity search.