UCSF

ZINC01682041

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 12 Yes

Popular Name: p-Tolylamino-acetic acid p-Tolylamino-acetic acid

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CAS Numbers: 114479-34-4 , 13227-01-5 , 21911-69-3 , [21911-69-3]

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) 0.58 3.87 -42.77 1 3 -1 52 164.184 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 113 - 117 Enamine Building Blocks
MP 114 - 116 Enamine Building Blocks
MP 114...116 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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