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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
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Analogs

65384745
65384745

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Popular Name: 4-[2-(3-sulfanyl-1,2,4-triazol-4-yl)ethyl]benzenesulfonamide 4-[2-(3-sulfanyl-1,2,4-triazol-4…

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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) -0.06 3.8 -23.15 3 6 0 94 284.366 4 ↓
Mid Mid (pH 6-8) 0.67 3.9 -50.92 2 6 -1 91 283.358 4 ↓

Analogs

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Popular Name: 4-[2-(3-methyl-5-sulfanyl-1,2,4-triazol-4-yl)ethyl]benzenesulfonamide 4-[2-(3-methyl-5-sulfanyl-1,2,4-…

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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) 0.03 3.59 -22.04 3 6 0 94 298.393 4 ↓
Mid Mid (pH 6-8) 0.76 3.71 -52.91 2 6 -1 91 297.385 4 ↓

Analogs

20590262
20590262

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-(3-ethyl-5-sulfanyl-1,2,4-triazol-4-yl)ethyl]benzenesulfonamide 4-[2-(3-ethyl-5-sulfanyl-1,2,4-t…

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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) 0.60 4.42 -21.49 3 6 0 94 312.42 5 ↓
Mid Mid (pH 6-8) 1.33 4.31 -52.7 2 6 -1 91 311.412 5 ↓

Analogs

20303866
20303866
20589079
20589079

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Popular Name: 4-[2-(3-isopropyl-5-sulfanyl-1,2,4-triazol-4-yl)ethyl]benzenesulfonamide 4-[2-(3-isopropyl-5-sulfanyl-1,2…

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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) 1.09 4.62 -20.22 3 6 0 94 326.447 5 ↓
Mid Mid (pH 6-8) 1.82 4.72 -52.57 2 6 -1 91 325.439 5 ↓

Parameters Provided:

ring.id = 620797
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 = 620797 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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