UCSF

ZINC36117291

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 14 Yes

Popular Name: 1-(Thien-2-ylsulfonyl)piperazine 1-(Thien-2-ylsulfonyl)piperazine

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 1032757-93-9 , 565178-12-3 , [565178-12-3]

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) 0.50 -0.22 -8.94 1 4 0 49 232.33 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 259 - 261 Enamine Building Blocks
MP 259...261 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
MP 98 - 100 Enamine Building Blocks
MP 98...100 Enamine Building Blocks
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID WO1999052898A1 IBM Patent Data

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Rings

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

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