UCSF

ZINC34926405

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 21 Yes

Popular Name: 3-{[3-(Ethoxycarbonyl)piperidin-1-yl]carbonyl}-2,2-dimethylcyclopropanecarboxylic acid 3-{[3-(Ethoxycarbonyl)piperidin-…

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CAS Numbers: 1186647-30-2 , [1186647-30-2]

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) 1.59 8.52 -46.63 0 6 -1 87 296.343 5 ↓
Lo Low (pH 4.5-6) 1.59 6.46 -9.88 1 6 0 84 297.351 5 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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