UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-amino-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide 4-amino-N-(4,5,6,7-tetrahydro-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) 3.28 2.65 -12.28 3 5 0 88 315.445 2 ↓
Mid Mid (pH 6-8) 3.28 2.5 -54.26 4 5 1 90 316.453 2 ↓
Mid Mid (pH 6-8) 2.36 2.11 -50.1 2 5 -1 87 314.437 3 ↓

Analogs

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Popular Name: 5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylsulfamoyl)thiophene-2-carboxylic 5-(4,5,6,7-tetrahydro-1,3-benzot…

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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) 3.68 5.52 -50.93 1 6 -1 102 343.431 3 ↓
Mid Mid (pH 6-8) 2.75 4.99 -99.7 0 6 -2 101 342.423 4 ↓

Analogs

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Popular Name: 5-(aminomethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide 5-(aminomethyl)-N-(4,5,6,7-tetra…

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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) 3.29 3.02 -58.17 4 5 1 90 330.48 3 ↓
Hi High (pH 8-9.5) 2.37 2.08 -51.25 2 5 -1 87 328.464 4 ↓
Mid Mid (pH 6-8) 2.37 2.48 -84.27 3 5 0 89 329.472 4 ↓

Analogs

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Popular Name: 5-(2-aminoethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide 5-(2-aminoethyl)-N-(4,5,6,7-tetr…

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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) 3.10 3.79 -59.5 4 5 1 90 344.507 4 ↓
Mid Mid (pH 6-8) 2.17 3.24 -88.1 3 5 0 89 343.499 5 ↓

Parameters Provided:

ring.id = 232546
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 = 232546 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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