UCSF

ZINC67244897

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2011 31 No

Popular Name: N-(4-ethylbenzyl)-1-(4-methylphenyl)-1H-pyrido[2,3-e][1,3,4]thiadiazine-3-carboxamide 4,4-dioxide N-(4-ethylbenzyl)-1-(4-methylphe…

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Other Names:

MFCD18788406

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) 3.73 8.09 -16.18 1 7 0 92 434.521 5 ↓
Hi High (pH 8-9.5) 3.91 5.86 -65.02 0 7 -1 98 433.513 5 ↓
Lo Low (pH 4.5-6) 3.73 8.4 -45.22 2 7 1 93 435.529 5 ↓

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

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