UCSF
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Analogs

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Popular Name: 5-[[(1R)-1-(2,4-dimethylthiazol-5-yl)ethyl]sulfamoyl]thiophene-3-carboxylic 5-[[(1R)-1-(2,4-dimethylthiazol-…

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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) 1.52 3.19 -52.39 1 6 -1 99 345.447 5 ↓

Analogs

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Popular Name: 5-[[(1S)-1-(2,4-dimethylthiazol-5-yl)ethyl]sulfamoyl]thiophene-3-carboxylic 5-[[(1S)-1-(2,4-dimethylthiazol-…

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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) 1.52 3.28 -54.16 1 6 -1 99 345.447 5 ↓

Analogs

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Popular Name: 5-(aminomethyl)-N-[(1R)-1-(2,4-dimethylthiazol-5-yl)ethyl]thiophene-2-sulfonamide 5-(aminomethyl)-N-[(1R)-1-(2,4-d…

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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) 1.44 0.85 -60.49 4 5 1 87 332.496 5 ↓
Hi High (pH 8-9.5) 1.44 0.46 -11.49 3 5 0 85 331.488 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(aminomethyl)-N-[(1S)-1-(2,4-dimethylthiazol-5-yl)ethyl]thiophene-2-sulfonamide 5-(aminomethyl)-N-[(1S)-1-(2,4-d…

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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) 1.44 0.93 -58.43 4 5 1 87 332.496 5 ↓
Hi High (pH 8-9.5) 1.44 0.53 -10.65 3 5 0 85 331.488 5 ↓

Analogs

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Popular Name: 5-(2-aminoethyl)-N-[(1R)-1-(2,4-dimethylthiazol-5-yl)ethyl]thiophene-2-sulfonamide 5-(2-aminoethyl)-N-[(1R)-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) 1.24 1.62 -60.43 4 5 1 87 346.523 6 ↓

Analogs

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Popular Name: 5-(2-aminoethyl)-N-[(1S)-1-(2,4-dimethylthiazol-5-yl)ethyl]thiophene-2-sulfonamide 5-(2-aminoethyl)-N-[(1S)-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) 1.24 1.7 -58.75 4 5 1 87 346.523 6 ↓

Analogs

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Popular Name: 5-(aminomethyl)-N-[(2-methylthiazol-5-yl)methyl]thiophene-2-sulfonamide 5-(aminomethyl)-N-[(2-methylthia…

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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) 0.66 -0.26 -59.23 4 5 1 87 304.442 5 ↓
Hi High (pH 8-9.5) 0.66 -0.66 -11.15 3 5 0 85 303.434 5 ↓

Analogs

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Popular Name: 5-(2-aminoethyl)-N-[(2-methylthiazol-5-yl)methyl]thiophene-2-sulfonamide 5-(2-aminoethyl)-N-[(2-methylthi…

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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) 0.46 0.51 -59.41 4 5 1 87 318.469 6 ↓

Analogs

37239035
37239035

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

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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) 1.67 4.44 -49.5 0 6 -1 90 345.447 5 ↓

Analogs

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Popular Name: 2-[5-[methyl-[(2-methylthiazol-5-yl)methyl]sulfamoyl]-2-thienyl]acetic 2-[5-[methyl-[(2-methylthiazol-5…

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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) 1.15 4.67 -52.4 0 6 -1 90 345.447 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.98 3.69 -54.37 0 6 -1 90 331.42 5 ↓

Parameters Provided:

ring.id = 435768
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 = 435768 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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