UCSF

ZINC38339068

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2010 10 Yes

Popular Name: Piperazine-2-carboxylic acid methyl ester dihydrochloride Piperazine-2-carboxylic acid met…

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CAS Numbers: 1219200-66-4 , 122323-88-0 , 159687-94-2 , 198992-49-3 , 2758-98-7 , 6164-79-0 , 637027-25-9 , 781588-93-0 , [122323-88-0] , [2758-98-7] , [637027-25-9]

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) -0.76 -0.41 -44.18 3 4 1 55 145.182 2 ↓
Hi High (pH 8-9.5) -0.76 -1.75 -4.79 2 4 0 50 144.174 2 ↓
Hi High (pH 8-9.5) 1.78 6.86 -14.36 1 4 0 47 255.321 2 ↓
Lo Low (pH 4.5-6) -0.76 0.93 -117.62 4 4 2 60 146.19 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 98% APIChem

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