UCSF

ZINC03610917

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 21 No

Popular Name: 4-(5-(1,3-Benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)morpholine; BRN 1222771; LS-92422; Morpholine, 4-(5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-; N-(5-(3,4-Methylenedioxyphenyl)-2,4-pentadienoyl)morpholine 4-(5-(1,3-Benzodioxol-5-yl)-1-ox…

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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) 2.27 5.56 -13.14 0 5 0 48 287.315 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50466-4-O Trypanosoma Cruzi (cluster #4 Of 8), Other Other 5710 0.35 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50466 Z50466 Trypanosoma Cruzi 5710 0.35 Functional ≤ 10μM

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