UCSF

ZINC44031657

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 40 No

Popular Name: [(2S)-1,4-bis(3,4,5-trimethoxybenzoyl)piperazin-2-yl]methyl [(2S)-1,4-bis(3,4,5-trimethoxybe…

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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) 1.04 9.44 -21.34 0 12 0 122 560.6 12 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z102256-1-O Plasma (cluster #1 Of 1), Other Other 158 0.24 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z102256 Z102256 Plasma 158 0.24 Functional ≤ 10μM

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