UCSF

ZINC04689151

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 29th, 2005 6 No

Popular Name: 2-(Aminooxy)acetic acid hydrochloride (2:1) 2-(Aminooxy)acetic acid hydrochl…

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CAS Numbers: 20295-82-3 , 2921-14-4 , 645-88-5

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) -1.07 0.18 -43.92 2 4 -1 75 90.058 2 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 156 Acros Organics
MP 156 - 158 Enamine Building Blocks
MP 156...158 Enamine Building Blocks
ALOGPS_SOLUBILITY 5.26e+02 g/l DrugBank-experimental
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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 2.33 Functional ≤ 10μM

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

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