UCSF

ZINC04725182

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 1st, 2006 25 No

Popular Name: 3-(3-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)-prop-2-en-1-one 3-(3-nitrophenyl)-1-(3,4,5-trime…

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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) 3.38 3.59 -17.85 0 7 0 90 343.335 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50459-1-O Leishmania Donovani (cluster #1 Of 8), Other Other 400 0.36 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50459 Z50459 Leishmania Donovani 400 0.36 Functional ≤ 10μM

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