UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-amino-N-(4-isopropylthiazol-2-yl)thiophene-2-sulfonamide 4-amino-N-(4-isopropylthiazol-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) 3.32 1.96 -14.08 3 5 0 88 303.434 3 ↓
Mid Mid (pH 6-8) 2.40 1.14 -71.42 3 5 0 89 303.434 4 ↓
Mid Mid (pH 6-8) 3.32 1.81 -56.81 4 5 1 90 304.442 3 ↓

Analogs

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Popular Name: 5-[(4-isopropylthiazol-2-yl)sulfamoyl]-3-methyl-thiophene-2-carboxylic 5-[(4-isopropylthiazol-2-yl)sulf…

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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) 4.10 5.37 -52.67 1 6 -1 102 345.447 4 ↓
Mid Mid (pH 6-8) 3.17 4.73 -95.91 0 6 -2 101 344.439 5 ↓

Analogs

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Popular Name: 5-[(4-isopropylthiazol-2-yl)sulfamoyl]thiophene-2-carboxylic 5-[(4-isopropylthiazol-2-yl)sulf…

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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) 3.72 4.81 -52.12 1 6 -1 102 331.42 4 ↓
Mid Mid (pH 6-8) 2.80 4.18 -94.82 0 6 -2 101 330.412 5 ↓

Analogs

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Popular Name: 5-(aminomethyl)-N-(4-isopropylthiazol-2-yl)thiophene-2-sulfonamide 5-(aminomethyl)-N-(4-isopropylth…

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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) 3.34 2.33 -60.5 4 5 1 90 318.469 4 ↓
Hi High (pH 8-9.5) 2.41 1.26 -47.82 2 5 -1 87 316.453 5 ↓
Mid Mid (pH 6-8) 2.41 1.66 -80.64 3 5 0 89 317.461 5 ↓

Analogs

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Popular Name: 5-(2-aminoethyl)-N-(4-isopropylthiazol-2-yl)thiophene-2-sulfonamide 5-(2-aminoethyl)-N-(4-isopropylt…

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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) 3.13 3.09 -61.79 4 5 1 90 332.496 5 ↓
Mid Mid (pH 6-8) 2.21 2.43 -84.17 3 5 0 89 331.488 6 ↓

Analogs

42205266
42205266
42221497
42221497
40162556
40162556

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Popular Name: 5-bromo-N-(4-tert-butylthiazol-2-yl)thiophene-2-sulfonamide 5-bromo-N-(4-tert-butylthiazol-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) 5.51 5.28 -11.07 1 4 0 62 381.342 3 ↓
Mid Mid (pH 6-8) 4.58 4.92 -41.88 0 4 -1 61 380.334 4 ↓

Analogs

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Popular Name: 3-methyl-5-[(4-methylthiazol-2-yl)sulfamoyl]thiophene-2-carboxylic 3-methyl-5-[(4-methylthiazol-2-y…

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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) 3.04 3.98 -53.91 1 6 -1 102 317.393 3 ↓
Mid Mid (pH 6-8) 2.12 3.46 -94.97 0 6 -2 101 316.385 4 ↓

Parameters Provided:

ring.id = 204735
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 = 204735 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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