UCSF

ZINC00054334

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 14 Yes

Popular Name: 3-Amino-3-(2,5-dimethylphenyl)propanoic acid 3-Amino-3-(2,5-dimethylphenyl)pr…

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CAS Numbers: , 117391-55-6 , [117391-55-6]

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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) -0.23 4.26 -39.97 3 3 0 68 193.246 3 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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