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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Popular Name: (3S)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]tetrahydrothiophene-3-carboxamide (3S)-N-[(3S,4S)-4-methoxypyrroli…

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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) 0.05 1.57 -48.54 3 4 1 55 231.341 3 ↓
Mid Mid (pH 6-8) 0.05 0.11 -10.45 2 4 0 50 230.333 3 ↓

Analogs

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Popular Name: (3S)-N-[(3R,4S)-4-methoxypyrrolidin-3-yl]tetrahydrothiophene-3-carboxamide (3S)-N-[(3R,4S)-4-methoxypyrroli…

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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) 0.05 1.99 -47.25 3 4 1 55 231.341 3 ↓
Mid Mid (pH 6-8) 0.05 0.53 -7.63 2 4 0 50 230.333 3 ↓

Analogs

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Popular Name: (3R)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]tetrahydrothiophene-3-carboxamide (3R)-N-[(3S,4S)-4-methoxypyrroli…

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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) 0.05 1.53 -49.28 3 4 1 55 231.341 3 ↓
Mid Mid (pH 6-8) 0.05 0.07 -9.8 2 4 0 50 230.333 3 ↓

Analogs

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Popular Name: (3R)-N-[(3R,4S)-4-methoxypyrrolidin-3-yl]tetrahydrothiophene-3-carboxamide (3R)-N-[(3R,4S)-4-methoxypyrroli…

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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) 0.05 1.96 -46 3 4 1 55 231.341 3 ↓
Mid Mid (pH 6-8) 0.05 0.5 -6.85 2 4 0 50 230.333 3 ↓

Analogs

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Popular Name: (3S)-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-tetrahydrothiophene-3-carboxamide (3S)-N-[(3R,4R)-4-hydroxypyrroli…

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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) -0.32 0.65 -52.06 3 4 1 57 231.341 2 ↓
Hi High (pH 8-9.5) -0.32 -0.8 -13.84 2 4 0 53 230.333 2 ↓

Analogs

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Popular Name: (3R)-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-tetrahydrothiophene-3-carboxamide (3R)-N-[(3R,4R)-4-hydroxypyrroli…

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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) -0.32 0.65 -53.75 3 4 1 57 231.341 2 ↓
Hi High (pH 8-9.5) -0.32 -0.81 -8.25 2 4 0 53 230.333 2 ↓

Analogs

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Popular Name: (3S)-N-[(3R)-pyrrolidin-3-yl]tetrahydrothiophene-3-carboxamide (3S)-N-[(3R)-pyrrolidin-3-yl]tet…

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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) 0.35 2.52 -44.63 3 3 1 46 201.315 2 ↓
Hi High (pH 8-9.5) 0.35 1.08 -9.1 2 3 0 41 200.307 2 ↓

Analogs

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Popular Name: (3S)-N-[(3S)-pyrrolidin-3-yl]tetrahydrothiophene-3-carboxamide (3S)-N-[(3S)-pyrrolidin-3-yl]tet…

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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) 0.35 2.52 -46.92 3 3 1 46 201.315 2 ↓
Hi High (pH 8-9.5) 0.35 1.08 -7.6 2 3 0 41 200.307 2 ↓

Analogs

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Popular Name: (3R)-N-[(3R)-pyrrolidin-3-yl]tetrahydrothiophene-3-carboxamide (3R)-N-[(3R)-pyrrolidin-3-yl]tet…

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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) 0.35 2.49 -45.12 3 3 1 46 201.315 2 ↓
Hi High (pH 8-9.5) 0.35 1.04 -8.23 2 3 0 41 200.307 2 ↓

Analogs

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Popular Name: (3R)-N-[(3S)-pyrrolidin-3-yl]tetrahydrothiophene-3-carboxamide (3R)-N-[(3S)-pyrrolidin-3-yl]tet…

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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) 0.35 2.49 -45.63 3 3 1 46 201.315 2 ↓
Hi High (pH 8-9.5) 0.35 1.04 -6.97 2 3 0 41 200.307 2 ↓

Analogs

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Popular Name: (3S)-N-methyl-N-[(3R)-pyrrolidin-3-yl]tetrahydrothiophene-3-carboxamide (3S)-N-methyl-N-[(3R)-pyrrolidin…

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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) 0.60 4.08 -48.08 2 3 1 37 215.342 2 ↓
Hi High (pH 8-9.5) 0.60 2.62 -9.25 1 3 0 32 214.334 2 ↓

Analogs

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Popular Name: (3S)-N-methyl-N-[(3S)-pyrrolidin-3-yl]tetrahydrothiophene-3-carboxamide (3S)-N-methyl-N-[(3S)-pyrrolidin…

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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) 0.60 4 -48.78 2 3 1 37 215.342 2 ↓
Hi High (pH 8-9.5) 0.60 2.55 -8.36 1 3 0 32 214.334 2 ↓

Analogs

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Popular Name: (3R)-N-methyl-N-[(3R)-pyrrolidin-3-yl]tetrahydrothiophene-3-carboxamide (3R)-N-methyl-N-[(3R)-pyrrolidin…

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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) 0.60 4.08 -52.06 2 3 1 37 215.342 2 ↓
Hi High (pH 8-9.5) 0.60 2.61 -7.3 1 3 0 32 214.334 2 ↓

Analogs

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Popular Name: (3R)-N-methyl-N-[(3S)-pyrrolidin-3-yl]tetrahydrothiophene-3-carboxamide (3R)-N-methyl-N-[(3S)-pyrrolidin…

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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) 0.60 4 -52.6 2 3 1 37 215.342 2 ↓
Hi High (pH 8-9.5) 0.60 2.55 -7.54 1 3 0 32 214.334 2 ↓

Analogs

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Popular Name: (3S)-N-ethyl-N-[(3R)-pyrrolidin-3-yl]tetrahydrothiophene-3-carboxamide (3S)-N-ethyl-N-[(3R)-pyrrolidin-…

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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) 0.97 4.79 -49.06 2 3 1 37 229.369 3 ↓
Hi High (pH 8-9.5) 0.97 3.33 -9.2 1 3 0 32 228.361 3 ↓

Analogs

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Popular Name: (3S)-N-ethyl-N-[(3S)-pyrrolidin-3-yl]tetrahydrothiophene-3-carboxamide (3S)-N-ethyl-N-[(3S)-pyrrolidin-…

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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) 0.97 4.72 -48.32 2 3 1 37 229.369 3 ↓
Hi High (pH 8-9.5) 0.97 3.27 -8.41 1 3 0 32 228.361 3 ↓

Analogs

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Popular Name: (3R)-N-ethyl-N-[(3R)-pyrrolidin-3-yl]tetrahydrothiophene-3-carboxamide (3R)-N-ethyl-N-[(3R)-pyrrolidin-…

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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) 0.97 4.83 -52.66 2 3 1 37 229.369 3 ↓
Hi High (pH 8-9.5) 0.97 3.37 -6.89 1 3 0 32 228.361 3 ↓

Analogs

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Popular Name: (3R)-N-ethyl-N-[(3S)-pyrrolidin-3-yl]tetrahydrothiophene-3-carboxamide (3R)-N-ethyl-N-[(3S)-pyrrolidin-…

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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) 0.97 4.68 -53.24 2 3 1 37 229.369 3 ↓
Hi High (pH 8-9.5) 0.97 3.23 -7.32 1 3 0 32 228.361 3 ↓

Analogs

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Popular Name: (3S)-N-propyl-N-[(3R)-pyrrolidin-3-yl]tetrahydrothiophene-3-carboxamide (3S)-N-propyl-N-[(3R)-pyrrolidin…

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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) 1.47 5.78 -36.8 2 3 1 37 243.396 4 ↓
Hi High (pH 8-9.5) 1.47 4.32 -6.71 1 3 0 32 242.388 4 ↓

Analogs

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Popular Name: (3S)-N-propyl-N-[(3S)-pyrrolidin-3-yl]tetrahydrothiophene-3-carboxamide (3S)-N-propyl-N-[(3S)-pyrrolidin…

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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) 1.47 5.73 -36.09 2 3 1 37 243.396 4 ↓
Hi High (pH 8-9.5) 1.47 4.3 -8.27 1 3 0 32 242.388 4 ↓

Analogs

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Popular Name: (3R)-N-propyl-N-[(3R)-pyrrolidin-3-yl]tetrahydrothiophene-3-carboxamide (3R)-N-propyl-N-[(3R)-pyrrolidin…

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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) 1.47 5.94 -36.5 2 3 1 37 243.396 4 ↓
Hi High (pH 8-9.5) 1.47 4.49 -6.1 1 3 0 32 242.388 4 ↓

Analogs

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Popular Name: (3R)-N-propyl-N-[(3S)-pyrrolidin-3-yl]tetrahydrothiophene-3-carboxamide (3R)-N-propyl-N-[(3S)-pyrrolidin…

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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) 1.47 5.73 -36.57 2 3 1 37 243.396 4 ↓
Hi High (pH 8-9.5) 1.47 4.28 -6.73 1 3 0 32 242.388 4 ↓

Parameters Provided:

ring.id = 512482
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 = 512482 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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