UCSF

ZINC00078988

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 11 Yes

Popular Name: 2-methyl-1,3-benzothiazol-5-ol 2-methyl-1,3-benzothiazol-5-ol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 68867-14-1 , [68867-14-1]

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) 1.58 1.88 -8.04 1 2 0 33 165.217 0 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 185-187? Alfa-Aesar
Melting_Point 185-187° Alfa-Aesar
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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