UCSF

ZINC52986896

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2010 18 No

Popular Name: 3-(3-methoxyphenyl)-1-phenyl-2-propen-1-one 3-(3-methoxyphenyl)-1-phenyl-2-p…

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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) 3.84 8.53 -9.56 0 2 0 26 238.286 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80362-1-O P388 (Lymphoma Cells) (cluster #1 Of 8), Other Other 9750 0.39 Functional ≤ 10μM
Z80874-2-O CEM (T-cell Leukemia) (cluster #2 Of 7), Other Other 8550 0.39 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80874 Z80874 CEM (T-cell Leukemia) 8550 0.39 Functional ≤ 10μM
Z80362 Z80362 P388 (Lymphoma Cells) 9750 0.39 Functional ≤ 10μM

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