UCSF

ZINC00408034

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 11 Yes

Popular Name: 4-Chlorobenzo[d]thiazol-2(3H)-one 4-Chlorobenzo[d]thiazol-2(3H)-one

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CAS Numbers: 39205-62-4 , [39205-62-4]

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) 2.91 2.16 -37.58 0 2 -1 36 184.627 0 ↓
Mid Mid (pH 6-8) 2.45 3.24 -6.49 1 2 0 33 185.635 0 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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

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