UCSF
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Analogs

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Popular Name: 4-[(E)-[(1,1,4-trioxo2,3-dihydrobenzo[e]thiadiazine-7-carbonyl)hydrazono]methyl]benzoic 4-[(E)-[(1,1,4-trioxo2,3-dihydro…

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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) 1.03 0.44 -68.73 3 10 -1 157 387.353 4 ↓

Analogs

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Popular Name: 2-[2-[(E)-[(1,1,4-trioxo2,3-dihydrobenzo[e]thiadiazine-7-carbonyl)hydrazono]methyl]phenoxy]acetic 2-[2-[(E)-[(1,1,4-trioxo2,3-dihy…

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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) 0.38 1.65 -78.7 3 11 -1 166 417.379 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(E)-[(1,1,4-trioxo2,3-dihydrobenzo[e]thiadiazine-7-carbonyl)hydrazono]methyl]benzoic 2-[(E)-[(1,1,4-trioxo2,3-dihydro…

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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) 0.65 0.78 -84.65 3 10 -1 157 387.353 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(E)-[(1,1,4-trioxo2,3-dihydrobenzo[e]thiadiazine-7-carbonyl)hydrazono]methyl]phenoxy]acetic 2-[4-[(E)-[(1,1,4-trioxo2,3-dihy…

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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) 0.43 0.76 -65.59 3 11 -1 166 417.379 6 ↓

Analogs

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Popular Name: 2-[2-methoxy-4-[C-methyl-N-[(1,1,4-trioxo2,3-dihydrobenzo[e]thiadiazine-7-carbonyl)amino]carbonimido 2-[2-methoxy-4-[C-methyl-N-[(1,1…

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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) -0.07 1.08 -69.36 3 12 -1 175 461.432 7 ↓

Analogs

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Popular Name: 2-[[4-[C-methyl-N-[(1,1,4-trioxo2,3-dihydrobenzo[e]thiadiazine-7-carbonyl)amino]carbonimidoyl]phenyl 2-[[4-[C-methyl-N-[(1,1,4-trioxo…

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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) -1.56 -2.47 -64.89 4 13 -1 203 494.487 7 ↓

Parameters Provided:

ring.id = 123554
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 123554 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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