UCSF

ZINC09296550

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2007 36 No

Popular Name: 3-methoxy-4-[[2-[[2-methoxy-4-[(4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]phenoxy]methyl]phenyl]me 3-methoxy-4-[[2-[[2-methoxy-4-[(…

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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) 4.05 -1.04 -19.4 1 7 0 86 521.616 10 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AROK-1-B Shikimate Kinase (cluster #1 Of 1), Bacterial Bacteria 9480 0.20 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AROK_HELPY P56073 Shikimate Kinase, Helpy 4390 0.21 Binding ≤ 10μM

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

No pre-computed analogs available. Try a structural similarity search.