UCSF

ZINC12477241

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 12 Yes

Popular Name: Cyclohexane-1,3-dicarboxylic acid Cyclohexane-1,3-dicarboxylic acid

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CAS Numbers: 2305-31-9 , 3971-31-1

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) 0.72 4.11 -107.03 0 4 -2 80 170.164 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 149 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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