UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41195605
41195605
41192324
41192324
41192439
41192439
41192476
41192476

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Popular Name: N-ethyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-amine N-ethyl-4-(4,5,6,7-tetrahydro-1,…

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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) 1.87 4.55 -39.24 3 3 1 42 266.434 3 ↓

Analogs

41195676
41195676
41195690
41195690
41192286
41192286
41192573
41192573

Draw Identity 99% 90% 80% 70%

Popular Name: N-propyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-amine N-propyl-4-(4,5,6,7-tetrahydro-1…

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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) 2.37 5.31 -39.53 3 3 1 42 280.461 4 ↓

Analogs

41195690
41195690
41192286
41192286
41192324
41192324
41192439
41192439
41192476
41192476

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-N-propyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-amine 1-ethyl-N-propyl-4-(4,5,6,7-tetr…

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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) 3.34 8.2 -33.44 2 3 1 29 308.515 5 ↓

Analogs

41192286
41192286
41192324
41192324
41192439
41192439
41192476
41192476
41195605
41195605

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-N-propyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-amine 1-methyl-N-propyl-4-(4,5,6,7-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) 2.96 7.54 -34.68 2 3 1 29 294.488 4 ↓

Analogs

41198127
41198127
41198141
41198141

Draw Identity 99% 90% 80% 70%

Popular Name: N-isopropyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-amine N-isopropyl-4-(4,5,6,7-tetrahydr…

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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) 2.16 4.83 -39.36 3 3 1 42 280.461 3 ↓

Analogs

41198141
41198141
41198062
41198062

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-N-isopropyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-amine 1-ethyl-N-isopropyl-4-(4,5,6,7-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) 3.13 7.46 -37.25 2 3 1 29 308.515 4 ↓

Analogs

41198062
41198062
41198127
41198127

Draw Identity 99% 90% 80% 70%

Popular Name: N-isopropyl-1-methyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-amine N-isopropyl-1-methyl-4-(4,5,6,7-…

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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) 2.76 6.78 -38.62 2 3 1 29 294.488 3 ↓

Parameters Provided:

ring.id = 520510
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 = 520510 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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