UCSF

ZINC34753139

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2009 17 Yes

Popular Name: 2-(4-methyl-2-pyridyl)-1,2-benzothiazol-3-one 2-(4-methyl-2-pyridyl)-1,2-benzo…

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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) 3.08 8.17 -17 0 3 0 35 242.303 1 ↓
Lo Low (pH 4.5-6) -0.65 8.51 -26.98 1 3 1 39 243.311 0 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5620997; US5668162; US6001863; US6133270 IBM Patent Data

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Rings

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

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