UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41195409
41195409
41195437
41195437
41195482
41195482
41195507
41195507
41192158
41192158

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Popular Name: 4-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-N-propyl-piperidin-4-amine 4-(5,6-dihydro-4H-cyclopenta[d]t…

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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) 2.10 4.72 -40.38 3 3 1 42 266.434 4 ↓

Analogs

41195437
41195437
41195482
41195482
41195507
41195507
41191830
41191830
41191947
41191947

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-1-ethyl-N-propyl-piperidin-4-amine 4-(5,6-dihydro-4H-cyclopenta[d]t…

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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) 3.07 7.6 -34.33 2 3 1 29 294.488 5 ↓

Analogs

41195482
41195482
41195507
41195507
41191830
41191830
41191947
41191947
41191997
41191997

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-1-methyl-N-propyl-piperidin-4-amine 4-(5,6-dihydro-4H-cyclopenta[d]t…

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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) 2.69 6.95 -35.58 2 3 1 29 280.461 4 ↓

Analogs

41195507
41195507
41191830
41191830
41191947
41191947
41191997
41191997
41195318
41195318

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-N,1-dipropyl-piperidin-4-amine 4-(5,6-dihydro-4H-cyclopenta[d]t…

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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) 3.57 8.35 -34.83 2 3 1 29 308.515 6 ↓

Analogs

41191830
41191830
41191947
41191947
41191997
41191997
41195318
41195318
41195409
41195409

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-1-isopropyl-N-propyl-piperidin-4-amine 4-(5,6-dihydro-4H-cyclopenta[d]t…

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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) 3.37 8.13 -32.71 2 3 1 29 308.515 5 ↓

Analogs

41197694
41197694
41197911
41197911
41197937
41197937
41200988
41200988
41201027
41201027

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-N-isopropyl-1-propyl-piperidin-4-amine 4-(5,6-dihydro-4H-cyclopenta[d]t…

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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) 3.37 7.61 -38.77 2 3 1 29 308.515 5 ↓

Analogs

41197826
41197826
41197911
41197911
41197937
41197937
41197669
41197669

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-N,1-diisopropyl-piperidin-4-amine 4-(5,6-dihydro-4H-cyclopenta[d]t…

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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) 3.16 7.64 -32.42 2 3 1 29 308.515 4 ↓

Analogs

41197911
41197911
41197937
41197937
41197694
41197694

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-N-isopropyl-piperidin-4-amine 4-(5,6-dihydro-4H-cyclopenta[d]t…

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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) 1.89 4.23 -40.14 3 3 1 42 266.434 3 ↓

Analogs

41197937
41197937
41197669
41197669
41197694
41197694
41197826
41197826

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-1-ethyl-N-isopropyl-piperidin-4-amine 4-(5,6-dihydro-4H-cyclopenta[d]t…

Find On: PubMed — Wikipedia — Google

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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) 2.86 6.87 -38.17 2 3 1 29 294.488 4 ↓

Analogs

41197669
41197669
41197694
41197694
41197826
41197826
41197911
41197911

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-N-isopropyl-1-methyl-piperidin-4-amine 4-(5,6-dihydro-4H-cyclopenta[d]t…

Find On: PubMed — Wikipedia — Google

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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) 2.49 6.19 -39.45 2 3 1 29 280.461 3 ↓

Parameters Provided:

ring.id = 520975
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 = 520975 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=520975&filter.purchasability=annotated

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