UCSF

ZINC13354686

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 17th, 2008 15 Yes

Popular Name: 3-Iodo-L-tyrosine methyl ester 3-Iodo-L-tyrosine methyl ester

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CAS Numbers: 70277-02-0 , 79677-58-0 , [70277-02-0]

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) 1.63 2.2 -6.99 3 4 0 73 321.114 4 ↓
Hi High (pH 8-9.5) 1.63 2.81 -38.55 2 4 -1 75 320.106 4 ↓

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

No pre-computed analogs available. Try a structural similarity search.