UCSF

ZINC01504868

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 13 Yes

Popular Name: 2,6-Pyridinedicarboxylic acid monomethyl ester 2,6-Pyridinedicarboxylic acid mo…

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CAS Numbers: 7170-36-7 , N/A , [7170-36-7]

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) 0.24 2.92 -52.56 0 5 -1 79 180.139 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 125 - 127 Enamine Building Blocks
MP 125...127 Enamine Building Blocks
MP 149 - 151 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

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