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Analogs

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Popular Name: N-(4-bromophenyl)-oxo-BLAHsulfonamide N-(4-bromophenyl)-oxo-BLAHsulfon…

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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) 3.24 -5.13 -11.86 1 5 0 66 421.316 3 ↓
Hi High (pH 8-9.5) 3.24 -4.55 -39.29 0 5 -1 68 420.308 3 ↓

Analogs

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Popular Name: oxo-N-[4-(trifluoromethoxy)phenyl]-BLAHsulfonamide oxo-N-[4-(trifluoromethoxy)pheny…

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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) 3.40 -2.85 -12.47 1 6 0 75 426.416 5 ↓
Hi High (pH 8-9.5) 3.40 -2.28 -38.89 0 6 -1 77 425.408 5 ↓

Analogs

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Popular Name: N-(4-bromo-2-methyl-phenyl)-oxo-BLAHsulfonamide N-(4-bromo-2-methyl-phenyl)-oxo-…

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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) 3.62 -4.36 -11.79 1 5 0 66 435.343 3 ↓
Hi High (pH 8-9.5) 3.62 -3.89 -37.94 0 5 -1 68 434.335 3 ↓

Analogs

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Popular Name: N-(4-bromo-3-methyl-phenyl)-oxo-BLAHsulfonamide N-(4-bromo-3-methyl-phenyl)-oxo-…

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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) 3.62 -4.77 -11.94 1 5 0 66 435.343 3 ↓
Hi High (pH 8-9.5) 3.62 -4.19 -40.3 0 5 -1 68 434.335 3 ↓

Analogs

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Popular Name: butyl butyl

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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) 4.04 -3.06 -14.85 1 7 0 93 442.537 8 ↓
Hi High (pH 8-9.5) 4.04 -2.49 -40.98 0 7 -1 94 441.529 8 ↓

Parameters Provided:

ring.id = 8206
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 = 8206 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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