UCSF

ZINC71790913

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2012 23 Yes

Popular Name: 2,2,2-trifluoroethyl N-{2-phenyl-2H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}carbamate 2,2,2-trifluoroethyl N-{2-phenyl…

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CAS Number: 1354951-54-4

Other Names:

MFCD20501888

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) 3.30 8.29 -9.03 1 5 0 56 325.29 5 ↓

Vendor Notes

Note Type Comments Provided By
MP 143 - 145 Enamine Building Blocks
MP 143...145 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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Rings

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

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