UCSF

ZINC04582521

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2005 14 Yes

Popular Name: 3,5-dimethylcyclohexene-1,2-dicarboxylic 3,5-dimethylcyclohexene-1,2-dica…

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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) 1.09 0.82 -139.71 0 4 -2 80 196.202 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000001692A1 IBM Patent Data

Activity (Go SEA)

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