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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (4-amino-5-methyl-2-thienyl)-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone (4-amino-5-methyl-2-thienyl)-[(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) 1.46 5.76 -42.02 3 4 1 51 280.417 2 ↓
Hi High (pH 8-9.5) 1.46 3.35 -8.38 2 4 0 50 279.409 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-amino-5-methyl-2-thienyl)-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone (4-amino-5-methyl-2-thienyl)-[(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) 1.46 5.67 -42.15 3 4 1 51 280.417 2 ↓
Hi High (pH 8-9.5) 1.46 3.39 -8.33 2 4 0 50 279.409 2 ↓

Analogs

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Popular Name: (3-amino-2-thienyl)-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone (3-amino-2-thienyl)-[(3S)-3-pyrr…

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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 5.04 -40.81 3 4 1 51 266.39 2 ↓
Hi High (pH 8-9.5) 1.24 2.64 -8.76 2 4 0 50 265.382 2 ↓

Analogs

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Popular Name: (3-amino-2-thienyl)-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone (3-amino-2-thienyl)-[(3R)-3-pyrr…

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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 5.06 -40.74 3 4 1 51 266.39 2 ↓
Hi High (pH 8-9.5) 1.24 2.66 -8.49 2 4 0 50 265.382 2 ↓

Analogs

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Popular Name: 5-[(3S)-3-pyrrolidin-1-ylpyrrolidine-1-carbonyl]thiophene-2-carboxylic 5-[(3S)-3-pyrrolidin-1-ylpyrroli…

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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) 1.64 7.8 -70.32 1 5 0 65 294.376 3 ↓
Hi High (pH 8-9.5) 1.64 5.39 -44.28 0 5 -1 64 293.368 3 ↓

Analogs

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Popular Name: 5-[(3R)-3-pyrrolidin-1-ylpyrrolidine-1-carbonyl]thiophene-2-carboxylic 5-[(3R)-3-pyrrolidin-1-ylpyrroli…

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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) 1.64 7.81 -70.3 1 5 0 65 294.376 3 ↓
Hi High (pH 8-9.5) 1.64 5.41 -44.13 0 5 -1 64 293.368 3 ↓

Analogs

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Popular Name: [5-(3-hydroxyprop-1-ynyl)-2-thienyl]-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone [5-(3-hydroxyprop-1-ynyl)-2-thie…

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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) 1.63 6.02 -44.83 2 4 1 45 305.423 2 ↓
Hi High (pH 8-9.5) 1.63 3.62 -10.69 1 4 0 44 304.415 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(3-hydroxyprop-1-ynyl)-2-thienyl]-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone [5-(3-hydroxyprop-1-ynyl)-2-thie…

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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) 1.63 6.04 -44.79 2 4 1 45 305.423 2 ↓
Hi High (pH 8-9.5) 1.63 3.64 -10.53 1 4 0 44 304.415 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(3-aminoprop-1-ynyl)-2-thienyl]-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone [5-(3-aminoprop-1-ynyl)-2-thieny…

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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) 1.07 6.32 -43.08 3 4 1 51 304.439 2 ↓
Hi High (pH 8-9.5) 1.07 3.92 -8.67 2 4 0 50 303.431 2 ↓
Mid Mid (pH 6-8) 1.07 6.73 -101.56 4 4 2 52 305.447 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(3-aminoprop-1-ynyl)-2-thienyl]-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone [5-(3-aminoprop-1-ynyl)-2-thieny…

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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) 1.07 6.34 -43.05 3 4 1 51 304.439 2 ↓
Hi High (pH 8-9.5) 1.07 3.94 -8.41 2 4 0 50 303.431 2 ↓
Mid Mid (pH 6-8) 1.07 6.75 -101.48 4 4 2 52 305.447 2 ↓

Analogs

41536026
41536026
58233483
58233483
58233484
58233484
58233849
58233849
58233850
58233850

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]-(2-thienyl)methanone [(3S)-3-pyrrolidin-1-ylpyrrolidi…

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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) 1.83 7.03 -43.14 1 3 1 25 251.375 2 ↓

Analogs

58234851
58234851
58234853
58234853
41536022
41536022

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]-(2-thienyl)methanone [(3R)-3-pyrrolidin-1-ylpyrrolidi…

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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) 1.83 6.95 -43.23 1 3 1 25 251.375 2 ↓

Parameters Provided:

ring.id = 324480
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 = 324480 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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