UCSF

ZINC04710374

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 31st, 2005 27 Yes

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

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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) 3.44 -1.95 -11.66 1 9 0 97 371.349 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 400 0.33 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z101973 Z101973 Paracentrotus Lividus 1000 0.31 Functional ≤ 10μM

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

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