UCSF

ZINC15079670

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2008 28 Yes

Popular Name: N-(1,3-benzodioxol-5-yl)-5-[4-(4-pyridylmethylamino)isothiazol-3-yl]-1,3,4-oxadiazol-2-amine N-(1,3-benzodioxol-5-yl)-5-[4-(4…

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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) 2.71 1.91 -15.11 2 9 0 107 394.416 6 ↓

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 5 0.42 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z101973 Z101973 Paracentrotus Lividus 2 0.43 Functional ≤ 10μM

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

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