UCSF

ZINC00062809

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 16 Yes

Popular Name: 3-amino-3-(4-isopropoxyphenyl)propanoic acid 3-amino-3-(4-isopropoxyphenyl)pr…

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CAS Numbers: 311321-19-4 , 53472-18-7

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) -0.26 3.92 -43.34 3 4 0 77 223.272 5 ↓

Vendor Notes

Note Type Comments Provided By
MP 244-245° Matrix Scientific
Warnings IRRITANT Matrix Scientific

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