UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-sec-butyl-1-thiazolo[5,4-b]pyridin-2-yl-piperidine-4-carboxamide N-sec-butyl-1-thiazolo[5,4-b]pyr…

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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) 2.79 5.4 -15.93 1 5 0 58 318.446 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-sec-butyl-1-thiazolo[5,4-b]pyridin-2-yl-piperidine-4-carboxamide N-sec-butyl-1-thiazolo[5,4-b]pyr…

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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) 2.79 5.41 -15.92 1 5 0 58 318.446 4 ↓

Analogs

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Popular Name: N-isopropyl-1-thiazolo[5,4-b]pyridin-2-yl-piperidine-4-carboxamide N-isopropyl-1-thiazolo[5,4-b]pyr…

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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) 2.25 4.45 -15.96 1 5 0 58 304.419 3 ↓

Analogs

20996227
20996227
15770068
15770068
15770089
15770089
15770171
15770171

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Popular Name: N-propyl-1-thiazolo[5,4-b]pyridin-2-yl-piperidine-4-carboxamide N-propyl-1-thiazolo[5,4-b]pyridi…

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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 4.38 -16.07 1 5 0 58 304.419 4 ↓

Analogs

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Popular Name: N-(2-methoxyethyl)-1-thiazolo[5,4-b]pyridin-2-yl-piperidine-4-carboxamide N-(2-methoxyethyl)-1-thiazolo[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) 1.56 2.7 -16.03 1 6 0 67 320.418 5 ↓

Analogs

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Popular Name: N-allyl-1-thiazolo[5,4-b]pyridin-2-yl-piperidine-4-carboxamide N-allyl-1-thiazolo[5,4-b]pyridin…

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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) 2.22 4.2 -15.71 1 5 0 58 302.403 4 ↓

Analogs

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Popular Name: (3R)-N-isopropyl-1-thiazolo[5,4-b]pyridin-2-yl-piperidine-3-carboxamide (3R)-N-isopropyl-1-thiazolo[5,4-…

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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) 2.25 4.43 -13.3 1 5 0 58 304.419 3 ↓

Analogs

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Popular Name: (3S)-N-isopropyl-1-thiazolo[5,4-b]pyridin-2-yl-piperidine-3-carboxamide (3S)-N-isopropyl-1-thiazolo[5,4-…

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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) 2.25 4.43 -13.34 1 5 0 58 304.419 3 ↓

Analogs

15770363
15770363
15770365
15770365
15770378
15770378
15770380
15770380
15770410
15770410

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-propyl-1-thiazolo[5,4-b]pyridin-2-yl-piperidine-3-carboxamide (3R)-N-propyl-1-thiazolo[5,4-b]p…

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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 4.36 -13.34 1 5 0 58 304.419 4 ↓

Analogs

15770378
15770378
15770380
15770380
15770410
15770410
15770412
15770412

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-propyl-1-thiazolo[5,4-b]pyridin-2-yl-piperidine-3-carboxamide (3S)-N-propyl-1-thiazolo[5,4-b]p…

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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 4.36 -13.34 1 5 0 58 304.419 4 ↓

Parameters Provided:

ring.id = 93323
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 = 93323 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=93323&filter.purchasability=annotated

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