UCSF

ZINC04616667

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2005 23 No

Popular Name: 4-bromo-2-[[4-(4-chlorophenyl)thiazol-2-yl]aminoiminomethyl]phenol 4-bromo-2-[[4-(4-chlorophenyl)th…

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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) 5.36 8.44 -8.11 2 4 0 58 408.708 4 ↓
Hi High (pH 8-9.5) 5.36 9.2 -39.54 1 4 -1 60 407.7 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FABH-1-B Beta-ketoacyl-ACP Synthase III (cluster #1 Of 2), Bacterial Bacteria 6800 0.31 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FABH_ECOLI P0A6R0 3-oxoacyl-[acyl-carrier-protein] Synthase 3, Ecoli 6800 0.31 Binding ≤ 10μM

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

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