UCSF

ZINC56963145

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2011 10 Yes

Popular Name: methyl 2-amino-3-methylpentanoate methyl 2-amino-3-methylpentanoate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 118878-53-8 , 18598-74-8 , 18869-44-8 , 1943758-28-8 , 2577-46-0 , 2577-46-0, 18598-74-8 , no cas , [2577-46-0],[18598-74-8]

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) 0.66 2.04 -4.76 2 3 0 52 145.202 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 86 - 88 Enamine Building Blocks
MP 86...88 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
MP 98 - 100 Enamine Building Blocks
MP 98...100 Enamine Building Blocks
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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