UCSF

ZINC00341465

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2005 13 Yes

Popular Name: spiro[3.3]heptane-2,6-dicarboxylic acid spiro[3.3]heptane-2,6-dicarboxyl…

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CAS Numbers: 3057-91-8 , [3057-91-8]

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) 0.42 6.64 -96.21 0 4 -2 80 182.175 2 ↓
Lo Low (pH 4.5-6) 0.42 4.63 -48.41 1 4 -1 77 183.183 2 ↓

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% )