UCSF

ZINC05139116

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 19 Yes

Popular Name: 2-({[(4-fluorobenzyl)amino]carbonyl}amino)-3-methylbutanoic acid 2-({[(4-fluorobenzyl)amino]carbo…

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CAS Number: 1396964-39-8

Other Names:

MFCD08729255

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) 0.21 5.32 -52.22 2 5 -1 81 267.28 5 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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