UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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

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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) 2.27 4.82 -46.94 0 6 -1 87 332.423 5 ↓

Analogs

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

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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) 2.27 4.91 -48.42 0 6 -1 87 332.423 5 ↓

Analogs

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

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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) 1.50 2.66 -57.79 3 5 1 74 305.445 5 ↓
Hi High (pH 8-9.5) 1.50 2.27 -12.16 2 5 0 73 304.437 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.50 1.85 -56.35 3 5 1 74 305.445 5 ↓
Hi High (pH 8-9.5) 1.50 1.45 -9.95 2 5 0 73 304.437 5 ↓

Analogs

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Popular Name: 5-(2-aminoethyl)-N-methyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]thiophene-2-sulfonamide 5-(2-aminoethyl)-N-methyl-N-[[(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) 1.30 3.43 -58.77 3 5 1 74 319.472 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(2-aminoethyl)-N-methyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]thiophene-2-sulfonamide 5-(2-aminoethyl)-N-methyl-N-[[(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) 1.30 2.62 -56.95 3 5 1 74 319.472 6 ↓

Analogs

21789772
21789772
21789776
21789776
42825845
42825845

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Popular Name: 5-ethyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]thiophene-2-sulfonamide 5-ethyl-N-[[(2S)-tetrahydropyran…

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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) 2.63 3.22 -8.63 1 4 0 55 289.422 5 ↓

Analogs

21789772
21789772
21789776
21789776
42825845
42825845

Draw Identity 99% 90% 80% 70%

Popular Name: 5-ethyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]thiophene-2-sulfonamide 5-ethyl-N-[[(2R)-tetrahydropyran…

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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) 2.63 3.21 -10.19 1 4 0 55 289.422 5 ↓

Analogs

60061855
60061855
60061856
60061856
60066184
60066184
60066185
60066185
42433839
42433839

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Popular Name: 4-amino-N-methyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]thiophene-2-sulfonamide 4-amino-N-methyl-N-[[(2S)-tetrah…

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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) 1.49 2.29 -11.24 2 5 0 73 290.41 4 ↓
Lo Low (pH 4.5-6) 1.49 2.14 -56.29 3 5 1 74 291.418 4 ↓

Analogs

60061855
60061855
60061856
60061856
60066184
60066184
60066185
60066185
42433839
42433839

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-methyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]thiophene-2-sulfonamide 4-amino-N-methyl-N-[[(2R)-tetrah…

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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) 1.49 1.48 -9.05 2 5 0 73 290.41 4 ↓
Lo Low (pH 4.5-6) 1.49 1.33 -56.02 3 5 1 74 291.418 4 ↓

Parameters Provided:

ring.id = 541694
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 = 541694 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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