UCSF

ZINC12343465

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2008 14 Yes

Popular Name: bicyclo[2.2.2]oct-5-ene-2,3-dicarboxylic acid bicyclo[2.2.2]oct-5-ene-2,3-dica…

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CAS Numbers: 28871-80-9 , [28871-80-9]

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) 0.10 4.97 -139.68 0 4 -2 80 194.186 2 ↓
Mid Mid (pH 6-8) 0.10 3.77 -49.88 1 4 -1 77 195.194 2 ↓
Lo Low (pH 4.5-6) 0.10 2.64 -11.67 2 4 0 75 196.202 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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