UCSF

ZINC00389513

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 14 Yes

Popular Name: 2-Methylhippuric acid 2-Methylhippuric acid

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CAS Numbers: 42013-20-7 , [42013-20-7]

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) -0.14 4.32 -43.39 1 4 -1 69 192.194 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 161 - 163 Enamine Building Blocks
MP 161...163 Enamine Building Blocks
MP 163 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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