UCSF

ZINC11535692

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2008 14 Yes

Popular Name: 5H-pyrido[3,4-b][1,4]benzothiazine 5H-pyrido[3,4-b][1,4]benzothiazine

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CAS Number: 261-90-5

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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) 2.92 5.35 -6.86 1 2 0 29 200.266 0 ↓
Mid Mid (pH 6-8) 2.92 5.82 -33.99 2 2 1 30 201.274 0 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US3118884 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.