UCSF

ZINC38337188

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2010 11 Yes

Popular Name: Ethyl piperazine-2-carboxylate dihydrochloride Ethyl piperazine-2-carboxylate d…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 129798-91-0 , 89941-07-1 , [129798-91-0] , [89941-07-1]

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) -0.38 0.52 -43.92 3 4 1 55 159.209 3 ↓
Hi High (pH 8-9.5) -0.38 -0.83 -4.61 2 4 0 50 158.201 3 ↓
Hi High (pH 8-9.5) -2.15 5.21 -28.65 0 1 1 3 146.641 0 ↓
Lo Low (pH 4.5-6) -0.38 1.85 -117.77 4 4 2 60 160.217 3 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 98% APIChem

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