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

Analogs

41198480
41198480
41195932
41195932
41195934
41195934

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-cyclopropyl-3-thiazol-2-yl-quinuclidin-3-amine (3R)-N-cyclopropyl-3-thiazol-2-y…

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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) 1.44 5.14 -31.56 2 3 1 29 250.391 3 ↓
Lo Low (pH 4.5-6) 1.44 6 -100.03 3 3 2 34 251.399 3 ↓

Analogs

41195932
41195932
41195934
41195934
41198478
41198478

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-cyclopropyl-3-thiazol-2-yl-quinuclidin-3-amine (3S)-N-cyclopropyl-3-thiazol-2-y…

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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) 1.44 4.96 -35.09 2 3 1 29 250.391 3 ↓
Lo Low (pH 4.5-6) 1.44 6 -100.04 3 3 2 34 251.399 3 ↓

Analogs

41199052
41199052
41196321
41196321
41196323
41196323

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-cyclopropyl-3-(4-methylthiazol-2-yl)quinuclidin-3-amine (3R)-N-cyclopropyl-3-(4-methylth…

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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) 1.66 5.26 -37.13 2 3 1 29 264.418 3 ↓
Lo Low (pH 4.5-6) 1.66 6.23 -102.8 3 3 2 34 265.426 3 ↓

Analogs

41196321
41196321
41196323
41196323
41199049
41199049

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-cyclopropyl-3-(4-methylthiazol-2-yl)quinuclidin-3-amine (3S)-N-cyclopropyl-3-(4-methylth…

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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) 1.66 5.1 -41.78 2 3 1 29 264.418 3 ↓
Lo Low (pH 4.5-6) 1.66 6.23 -102.83 3 3 2 34 265.426 3 ↓

Analogs

41199545
41199545
41196689
41196689
41196691
41196691

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-cyclopropyl-3-(4,5-dimethylthiazol-2-yl)quinuclidin-3-amine (3R)-N-cyclopropyl-3-(4,5-dimeth…

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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 6.47 -31.65 2 3 1 29 278.445 3 ↓
Lo Low (pH 4.5-6) 1.89 7.32 -100.3 3 3 2 34 279.453 3 ↓

Analogs

41196689
41196689
41199543
41199543
41196691
41196691

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-cyclopropyl-3-(4,5-dimethylthiazol-2-yl)quinuclidin-3-amine (3S)-N-cyclopropyl-3-(4,5-dimeth…

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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 6.27 -35.28 2 3 1 29 278.445 3 ↓
Lo Low (pH 4.5-6) 1.89 7.31 -100.29 3 3 2 34 279.453 3 ↓

Analogs

41200001
41200001
41196999
41196999
41197001
41197001

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-cyclopropyl-3-(4-ethyl-5-methyl-thiazol-2-yl)quinuclidin-3-amine (3R)-N-cyclopropyl-3-(4-ethyl-5-…

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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) 2.46 6.73 -36.29 2 3 1 29 292.472 4 ↓
Lo Low (pH 4.5-6) 2.46 7.65 -101.42 3 3 2 34 293.48 4 ↓

Analogs

41196999
41196999
41197001
41197001
41199998
41199998

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-cyclopropyl-3-(4-ethyl-5-methyl-thiazol-2-yl)quinuclidin-3-amine (3S)-N-cyclopropyl-3-(4-ethyl-5-…

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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) 2.46 6.54 -41.16 2 3 1 29 292.472 4 ↓
Lo Low (pH 4.5-6) 2.46 7.65 -101.44 3 3 2 34 293.48 4 ↓

Analogs

41200459
41200459
41200790
41200790
41200794
41200794
41197295
41197295
41197297
41197297

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-cyclopropyl-3-(4-isopropylthiazol-2-yl)quinuclidin-3-amine (3R)-N-cyclopropyl-3-(4-isopropy…

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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) 2.72 6.53 -36.88 2 3 1 29 292.472 4 ↓
Lo Low (pH 4.5-6) 2.72 7.49 -103.13 3 3 2 34 293.48 4 ↓

Analogs

41200790
41200790
41200794
41200794
41197295
41197295
41197297
41197297
41197526
41197526

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-cyclopropyl-3-(4-isopropylthiazol-2-yl)quinuclidin-3-amine (3S)-N-cyclopropyl-3-(4-isopropy…

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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) 2.72 6.37 -41.37 2 3 1 29 292.472 4 ↓
Lo Low (pH 4.5-6) 2.72 7.5 -103.2 3 3 2 34 293.48 4 ↓

Analogs

41200794
41200794
41197295
41197295
41197297
41197297
41197526
41197526
41197528
41197528

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(4-tert-butylthiazol-2-yl)-N-cyclopropyl-quinuclidin-3-amine (3R)-3-(4-tert-butylthiazol-2-yl…

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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) 3.39 7.09 -35.84 2 3 1 29 306.499 4 ↓
Lo Low (pH 4.5-6) 3.39 8 -102.24 3 3 2 34 307.507 4 ↓

Analogs

41197295
41197295
41197297
41197297
41197526
41197526
41197528
41197528
41200456
41200456

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(4-tert-butylthiazol-2-yl)-N-cyclopropyl-quinuclidin-3-amine (3S)-3-(4-tert-butylthiazol-2-yl…

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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) 3.39 6.93 -40.7 2 3 1 29 306.499 4 ↓
Lo Low (pH 4.5-6) 3.39 8.06 -103.5 3 3 2 34 307.507 4 ↓

Parameters Provided:

ring.id = 521547
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 = 521547 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=521547&filter.purchasability=annotated

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