UCSF

ZINC00388422

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 10 Yes

Popular Name: 2,3-Dimethylsuccinic acid 2,3-Dimethylsuccinic acid

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CAS Numbers: 13545-04-5 , [13545-04-5]

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) 0.30 3.18 -124.32 0 4 -2 80 144.126 3 ↓
Hi High (pH 8-9.5) 1.17 4.36 -93.77 9 9 2 152 474.491 5 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID US5276037; WO2000055120A1 IBM Patent Data

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