UCSF

ZINC67172748

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2011 22 No

Popular Name: 1-(4-methylphenyl)-1H-pyrido[2,3-e][1,3,4]thiadiazine-3-carboxylic acid 4,4-dioxide 1-(4-methylphenyl)-1H-pyrido[2,3…

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CAS Numbers: 1325305-43-8 , [1325305-43-8]

Other Names:

MFCD19705831

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) 1.55 5.38 -68.33 0 7 -1 103 316.318 2 ↓
Lo Low (pH 4.5-6) 1.55 5.55 -77.69 1 7 0 104 317.326 2 ↓

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

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