UCSF

ZINC37486544

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2009 17 Yes

Popular Name: N-(5-bromothiazol-2-yl)-5-chloro-2-hydroxy-benzamide N-(5-bromothiazol-2-yl)-5-chloro…

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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) 3.96 4.81 -11.04 2 4 0 62 333.594 2 ↓
Hi High (pH 8-9.5) 3.96 5.81 -49.43 1 4 -1 65 332.586 2 ↓
Hi High (pH 8-9.5) 3.48 2.62 -41.54 1 4 -1 69 332.586 2 ↓
Hi High (pH 8-9.5) 3.48 3.4 -106.69 0 4 -2 71 331.578 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50606-2-O Hepatitis B Virus (cluster #2 Of 3), Other Other 3500 0.45 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50606 Z50606 Hepatitis B Virus 210 0.55 Functional ≤ 10μM

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

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