UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41198236
41198236
41198343
41198343
41195798
41195798
41061791
41061791

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Popular Name: N-cyclopropyl-1-propyl-4-thiazol-2-yl-piperidin-4-amine N-cyclopropyl-1-propyl-4-thiazol…

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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) 2.09 5.92 -37.62 2 3 1 29 266.434 5 ↓

Analogs

41198343
41198343
41195798
41195798
41198219
41198219
41061791
41061791

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Popular Name: N-cyclopropyl-1-isopropyl-4-thiazol-2-yl-piperidin-4-amine N-cyclopropyl-1-isopropyl-4-thia…

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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) 1.88 5.69 -35.29 2 3 1 29 266.434 4 ↓

Analogs

41195798
41195798
41198219
41198219
41198236
41198236
41061791
41061791

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Popular Name: N-cyclopropyl-1-ethyl-4-thiazol-2-yl-piperidin-4-amine N-cyclopropyl-1-ethyl-4-thiazol-…

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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) 1.59 5.18 -36.93 2 3 1 29 252.407 4 ↓

Analogs

41198706
41198706
41198850
41198850
41198922
41198922
41196187
41196187

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Popular Name: N-cyclopropyl-4-(4-methylthiazol-2-yl)-1-propyl-piperidin-4-amine N-cyclopropyl-4-(4-methylthiazol…

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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) 2.31 7.38 -35.73 2 3 1 29 280.461 5 ↓

Analogs

41198850
41198850
41198922
41198922
41196187
41196187
41198648
41198648

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Popular Name: N-cyclopropyl-1-isopropyl-4-(4-methylthiazol-2-yl)piperidin-4-amine N-cyclopropyl-1-isopropyl-4-(4-m…

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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) 2.11 7.16 -33.49 2 3 1 29 280.461 4 ↓

Analogs

41198922
41198922
41196187
41196187
41198648
41198648
41198706
41198706

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Popular Name: N-cyclopropyl-1-ethyl-4-(4-methylthiazol-2-yl)piperidin-4-amine N-cyclopropyl-1-ethyl-4-(4-methy…

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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) 1.81 6.63 -35.02 2 3 1 29 266.434 4 ↓

Analogs

41196187
41196187
41198648
41198648
41198706
41198706
41198850
41198850

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-1-methyl-4-(4-methylthiazol-2-yl)piperidin-4-amine N-cyclopropyl-1-methyl-4-(4-meth…

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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) 1.43 5.98 -36.52 2 3 1 29 252.407 3 ↓

Analogs

41199287
41199287
41199405
41199405
41199454
41199454
41199616
41199616
41196566
41196566

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Popular Name: N-cyclopropyl-4-(4,5-dimethylthiazol-2-yl)-1-propyl-piperidin-4-amine N-cyclopropyl-4-(4,5-dimethylthi…

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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) 2.53 7.28 -37.81 2 3 1 29 294.488 5 ↓

Analogs

41199405
41199405
41199454
41199454
41199616
41199616
41196566
41196566
41199249
41199249

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Popular Name: N-cyclopropyl-4-(4,5-dimethylthiazol-2-yl)-1-isopropyl-piperidin-4-amine N-cyclopropyl-4-(4,5-dimethylthi…

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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) 2.33 7.38 -31.54 2 3 1 29 294.488 4 ↓

Analogs

41199454
41199454
41199616
41199616
41196566
41196566
41199249
41199249
41199287
41199287

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Popular Name: N-cyclopropyl-4-(4,5-dimethylthiazol-2-yl)-1-ethyl-piperidin-4-amine N-cyclopropyl-4-(4,5-dimethylthi…

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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 6.54 -37.18 2 3 1 29 280.461 4 ↓

Analogs

41199616
41199616
41196566
41196566
41199249
41199249
41199287
41199287
41199405
41199405

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-4-(4,5-dimethylthiazol-2-yl)-1-methyl-piperidin-4-amine N-cyclopropyl-4-(4,5-dimethylthi…

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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) 1.65 6.2 -34.38 2 3 1 29 266.434 3 ↓

Analogs

41199249
41199249
41199287
41199287
41199405
41199405
41199454
41199454

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-4-(4,5-dimethylthiazol-2-yl)piperidin-4-amine N-cyclopropyl-4-(4,5-dimethylthi…

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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) 1.06 3.97 -39.23 3 3 1 42 252.407 3 ↓

Analogs

41199790
41199790
41199908
41199908
41199947
41199947
41200052
41200052
41196891
41196891

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Popular Name: N-cyclopropyl-4-(4-ethyl-5-methyl-thiazol-2-yl)-1-propyl-piperidin-4-amine N-cyclopropyl-4-(4-ethyl-5-methy…

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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) 3.11 8.85 -35.32 2 3 1 29 308.515 6 ↓

Analogs

41199908
41199908
41199947
41199947
41200052
41200052
41196891
41196891
41199751
41199751

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Popular Name: N-cyclopropyl-4-(4-ethyl-5-methyl-thiazol-2-yl)-1-isopropyl-piperidin-4-amine N-cyclopropyl-4-(4-ethyl-5-methy…

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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) 2.90 8.63 -33.23 2 3 1 29 308.515 5 ↓

Analogs

41199947
41199947
41200052
41200052
41196891
41196891
41199751
41199751
41199790
41199790

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Popular Name: N-cyclopropyl-1-ethyl-4-(4-ethyl-5-methyl-thiazol-2-yl)piperidin-4-amine N-cyclopropyl-1-ethyl-4-(4-ethyl…

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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) 2.60 8.11 -34.6 2 3 1 29 294.488 5 ↓

Analogs

41200052
41200052
41196891
41196891
41199751
41199751
41199790
41199790
41199908
41199908

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-4-(4-ethyl-5-methyl-thiazol-2-yl)-1-methyl-piperidin-4-amine N-cyclopropyl-4-(4-ethyl-5-methy…

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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) 2.23 7.46 -36.18 2 3 1 29 280.461 4 ↓

Analogs

41199751
41199751
41199790
41199790
41199908
41199908
41199947
41199947

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-4-(4-ethyl-5-methyl-thiazol-2-yl)piperidin-4-amine N-cyclopropyl-4-(4-ethyl-5-methy…

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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 5.22 -40.99 3 3 1 42 266.434 4 ↓

Analogs

41200251
41200251
41200370
41200370
41200407
41200407
41200742
41200742
41200761
41200761

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Popular Name: N-cyclopropyl-4-(4-isopropylthiazol-2-yl)-1-propyl-piperidin-4-amine N-cyclopropyl-4-(4-isopropylthia…

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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 8.29 -39.82 2 3 1 29 308.515 6 ↓

Analogs

41200370
41200370
41200407
41200407
41200742
41200742
41200761
41200761
41197186
41197186

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Popular Name: N-cyclopropyl-1-isopropyl-4-(4-isopropylthiazol-2-yl)piperidin-4-amine N-cyclopropyl-1-isopropyl-4-(4-i…

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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 8.43 -33.15 2 3 1 29 308.515 5 ↓

Analogs

41200407
41200407
41200742
41200742
41200761
41200761
41197186
41197186
41200212
41200212

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Popular Name: N-cyclopropyl-1-ethyl-4-(4-isopropylthiazol-2-yl)piperidin-4-amine N-cyclopropyl-1-ethyl-4-(4-isopr…

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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) 2.87 7.55 -39.04 2 3 1 29 294.488 5 ↓

Analogs

41200742
41200742
41200761
41200761
41197186
41197186
41200212
41200212
41200251
41200251

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Popular Name: N-cyclopropyl-4-(4-isopropylthiazol-2-yl)-1-methyl-piperidin-4-amine N-cyclopropyl-4-(4-isopropylthia…

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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 7.25 -36.09 2 3 1 29 280.461 4 ↓

Analogs

41200825
41200825

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Popular Name: N-cyclopropyl-4-(4-isopropylthiazol-2-yl)piperidin-4-amine N-cyclopropyl-4-(4-isopropylthia…

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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 4.65 -45.96 3 3 1 42 266.434 4 ↓

Analogs

41200761
41200761
41197186
41197186
41200212
41200212
41200251
41200251
41200370
41200370

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Popular Name: 4-(4-tert-butylthiazol-2-yl)-N-cyclopropyl-1-ethyl-piperidin-4-amine 4-(4-tert-butylthiazol-2-yl)-N-c…

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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) 3.53 8.47 -34.25 2 3 1 29 308.515 5 ↓

Analogs

41197186
41197186
41200212
41200212
41200251
41200251
41200370
41200370
41200407
41200407

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-tert-butylthiazol-2-yl)-N-cyclopropyl-1-methyl-piperidin-4-amine 4-(4-tert-butylthiazol-2-yl)-N-c…

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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 7.81 -35.7 2 3 1 29 294.488 4 ↓

Analogs

41200510
41200510

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Popular Name: 4-(4-tert-butylthiazol-2-yl)-N-cyclopropyl-piperidin-4-amine 4-(4-tert-butylthiazol-2-yl)-N-c…

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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) 2.56 5.17 -45.31 3 3 1 42 280.461 4 ↓

Parameters Provided:

ring.id = 521488
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 = 521488 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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