UCSF

ZINC04710236

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 31st, 2005 21 Yes

Popular Name: 5-(4-aminoisothiazol-3-yl)-N-benzo[1,3]dioxol-5-yl-1,3,4-oxadiazol-2-amine 5-(4-aminoisothiazol-3-yl)-N-ben…

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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) 2.23 -5.78 -11.76 3 8 0 108 303.303 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z101973-1-O Paracentrotus Lividus (cluster #1 Of 1), Other Other 500 0.42 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z101973 Z101973 Paracentrotus Lividus 4000 0.36 Functional ≤ 10μM

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

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