UCSF

ZINC64979124

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2011 23 No

Popular Name: methyl 4-(4-methylphenyl)-4H-1,4-benzothiazine-2-carboxylate 1,1-dioxide methyl 4-(4-methylphenyl)-4H-1,4…

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CAS Numbers: 1325307-50-3 , [1325307-50-3]

Other Names:

MFCD19705910

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 7.36 -19.88 0 5 0 64 329.377 3 ↓

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

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