UCSF

ZINC04557452

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2005 16 Yes

Popular Name: Diethyl cyclohexane-1,2-dicarboxylate Diethyl cyclohexane-1,2-dicarbox…

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CAS Numbers: 10138-59-7 , 17351-07-4 , 17351-22-3 , 84-66-2 , [10138-59-7]

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) 2.94 3.27 -8.71 0 4 0 52 228.288 6 ↓

Vendor Notes

Note Type Comments Provided By
BP 119 / 4 TCI
BP 135 / 11 TCI
Purity 95% Fluorochem

Activity (Go SEA)

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