UCSF

ZINC00060880

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 19 Yes

Popular Name: 3-(azepan-1-ylsulfonyl)benzoic acid 3-(azepan-1-ylsulfonyl)benzoic acid

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CAS Numbers: , 326182-57-4

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
Ref Reference (pH 7) 2.55 5.96 -52.53 0 5 -1 78 282.341 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 173 - 175 Enamine Building Blocks
MP 173...175 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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