UCSF

ZINC34464211

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 12 Yes

Popular Name: 2-Methylbenzo[d]thiazole-5-carbonitrile 2-Methylbenzo[d]thiazole-5-carbo…

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CAS Numbers: 90418-93-2 , [90418-93-2]

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) 1.82 5.04 -7.8 0 2 0 37 174.228 0 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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