UCSF

ZINC33604896

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 10 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 , 52683-81-5

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) -1.35 1.63 -41.26 2 3 0 57 151.112 1 ↓
Hi High (pH 8-9.5) -1.35 0.38 -43.82 1 3 -1 52 150.104 1 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID WO2000071572A1 IBM Patent Data

Activity (Go SEA)

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

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