UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-ethyl-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]thiophene-2-sulfonamide 5-ethyl-N-[(3R)-1-(2,2,2-trifluo…

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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) 2.82 2.44 -10 1 4 0 49 342.408 6 ↓

Analogs

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Popular Name: 5-ethyl-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]thiophene-2-sulfonamide 5-ethyl-N-[(3S)-1-(2,2,2-trifluo…

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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) 2.82 2.39 -10.59 1 4 0 49 342.408 6 ↓

Analogs

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Popular Name: 5-chloro-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]thiophene-2-sulfonamide 5-chloro-N-[(3R)-1-(2,2,2-triflu…

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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) 2.83 1.44 -8.92 1 4 0 49 348.799 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]thiophene-2-sulfonamide 5-chloro-N-[(3S)-1-(2,2,2-triflu…

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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) 2.83 1.39 -9.56 1 4 0 49 348.799 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]thiophene-2-sulfonamide N-[(3R)-1-(2,2,2-trifluoroethyl)…

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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) 2.03 0.82 -10.47 1 4 0 49 314.354 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]thiophene-2-sulfonamide N-[(3S)-1-(2,2,2-trifluoroethyl)…

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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) 2.03 0.76 -11.12 1 4 0 49 314.354 5 ↓

Analogs

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Popular Name: methyl methyl

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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) 1.75 1.42 -11.42 1 6 0 76 338.838 5 ↓
Lo Low (pH 4.5-6) 1.75 3.53 -44.69 2 6 1 77 339.846 5 ↓

Analogs

37003590
37003590
37003591
37003591
44680661
44680661
44680663
44680663

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Popular Name: 5-ethyl-N-[(3R)-1-isopropylpyrrolidin-3-yl]thiophene-2-sulfonamide 5-ethyl-N-[(3R)-1-isopropylpyrro…

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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) 2.57 5.07 -41.35 2 4 1 51 303.473 5 ↓
Hi High (pH 8-9.5) 2.57 4.81 -37.21 1 4 0 53 302.465 5 ↓
Hi High (pH 8-9.5) 2.57 2.66 -8.08 1 4 0 49 302.465 5 ↓

Analogs

37003590
37003590
37003591
37003591
44680661
44680661
44680663
44680663

Draw Identity 99% 90% 80% 70%

Popular Name: 5-ethyl-N-[(3S)-1-isopropylpyrrolidin-3-yl]thiophene-2-sulfonamide 5-ethyl-N-[(3S)-1-isopropylpyrro…

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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) 2.57 5.02 -41.41 2 4 1 51 303.473 5 ↓
Hi High (pH 8-9.5) 2.57 4.84 -36.8 1 4 0 53 302.465 5 ↓
Hi High (pH 8-9.5) 2.57 2.61 -8.01 1 4 0 49 302.465 5 ↓

Analogs

44680658
44680658
44680659
44680659
44694568
44694568
44694569
44694569

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Popular Name: N-[(3R)-1-isopropylpyrrolidin-3-yl]-5-methyl-thiophene-2-sulfonamide N-[(3R)-1-isopropylpyrrolidin-3-…

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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) 2.00 4.17 -41.09 2 4 1 51 289.446 4 ↓
Hi High (pH 8-9.5) 2.00 3.92 -38.86 1 4 0 53 288.438 4 ↓
Hi High (pH 8-9.5) 2.00 1.82 -8.7 1 4 0 49 288.438 4 ↓

Analogs

44680658
44680658
44680659
44680659
44680661
44680661
44680663
44680663
44694568
44694568

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1-isopropylpyrrolidin-3-yl]-5-methyl-thiophene-2-sulfonamide N-[(3S)-1-isopropylpyrrolidin-3-…

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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) 2.00 4.23 -41.57 2 4 1 51 289.446 4 ↓
Hi High (pH 8-9.5) 2.00 1.82 -8.4 1 4 0 49 288.438 4 ↓
Hi High (pH 8-9.5) 2.00 4.06 -37.23 1 4 0 53 288.438 4 ↓

Analogs

58233617
58233617
58233619
58233619
44686875
44686875
44686878
44686878

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1-isopropylpyrrolidin-3-yl]thiophene-2-sulfonamide N-[(3S)-1-isopropylpyrrolidin-3-…

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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) 1.78 3.4 -41.57 2 4 1 51 275.419 4 ↓
Hi High (pH 8-9.5) 1.78 3.22 -37.13 1 4 0 53 274.411 4 ↓
Hi High (pH 8-9.5) 1.78 0.95 -8.56 1 4 0 49 274.411 4 ↓

Analogs

58233617
58233617
58233619
58233619
44686875
44686875
44686878
44686878

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-1-isopropylpyrrolidin-3-yl]thiophene-2-sulfonamide N-[(3R)-1-isopropylpyrrolidin-3-…

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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) 1.78 3.31 -41.68 2 4 1 51 275.419 4 ↓
Hi High (pH 8-9.5) 1.78 3.08 -37.93 1 4 0 53 274.411 4 ↓
Hi High (pH 8-9.5) 1.78 0.96 -8.66 1 4 0 49 274.411 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-N-[(3S)-1-isopropylpyrrolidin-3-yl]thiophene-2-sulfonamide 5-chloro-N-[(3S)-1-isopropylpyrr…

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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) 2.58 4.02 -41.2 2 4 1 51 309.864 4 ↓
Hi High (pH 8-9.5) 2.58 3.84 -33.36 1 4 0 53 308.856 4 ↓
Hi High (pH 8-9.5) 2.58 1.57 -6.76 1 4 0 49 308.856 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-N-[(3R)-1-isopropylpyrrolidin-3-yl]thiophene-2-sulfonamide 5-chloro-N-[(3R)-1-isopropylpyrr…

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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) 2.58 3.93 -41.24 2 4 1 51 309.864 4 ↓
Hi High (pH 8-9.5) 2.58 3.7 -33.9 1 4 0 53 308.856 4 ↓
Hi High (pH 8-9.5) 2.58 1.58 -6.83 1 4 0 49 308.856 4 ↓

Parameters Provided:

ring.id = 174672
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 = 174672 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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