UCSF

ZINC20421256

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 24 No

Popular Name: 3,5-di(4-chlorobenzylidene)-1-methylpiperidin-4-one 3,5-di(4-chlorobenzylidene)-1-me…

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Other Names:

MFCD00121547

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) 5.31 10.38 -5.93 0 2 0 20 358.268 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50602-1-O Human Herpesvirus 1 (cluster #1 Of 5), Other Other 690 0.36 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50602 Z50602 Human Herpesvirus 1 690 0.36 Functional ≤ 10μM

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