UCSF

ZINC04180623

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 19 No

Popular Name: 1-(2-dimethylaminophenyl)-3-phenyl-prop-2-en-1-one 1-(2-dimethylaminophenyl)-3-phen…

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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) 3.87 9.85 -8.32 0 2 0 20 251.329 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50587-3-O Homo Sapiens (cluster #3 Of 9), Other Other 1770 0.42 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50587 Z50587 Homo Sapiens 1770 0.42 Functional ≤ 10μM

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