UCSF

ZINC01531042

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 9 No

Popular Name: 2-Amino-4-(aminooxy)butanoic acid dihydrochloride 2-Amino-4-(aminooxy)butanoic aci…

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CAS Numbers: 128395-79-9 , 496-93-5 , 65518-20-9 , N/A , [65518-20-9]

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) -3.40 -4.16 -43.7 5 5 0 103 134.135 4 ↓

Vendor Notes

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

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-10-O Plasmodium Falciparum (cluster #10 Of 22), Other Other 0 0.00 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 0.1 1.56 Functional ≤ 10μM

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