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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (3R)-1-[1-[(2-chlorophenyl)methyl]-3-methyl-thieno[4,5-d]pyrazole-5-carbonyl]piperidine-3-carboxylic (3R)-1-[1-[(2-chlorophenyl)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) 3.60 10.07 -55.85 0 6 -1 78 416.91 4 ↓

Analogs

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Popular Name: (3S)-1-[1-[(2-chlorophenyl)methyl]-3-methyl-thieno[4,5-d]pyrazole-5-carbonyl]piperidine-3-carboxylic (3S)-1-[1-[(2-chlorophenyl)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) 3.60 10.1 -55.38 0 6 -1 78 416.91 4 ↓

Analogs

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Popular Name: (3R)-1-[1-[(2,4-dichlorophenyl)methyl]-3-methyl-thieno[4,5-d]pyrazole-5-carbonyl]piperidine-3-carbox (3R)-1-[1-[(2,4-dichlorophenyl)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) 4.25 10.17 -54.96 0 6 -1 78 451.355 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[1-[(2,4-dichlorophenyl)methyl]-3-methyl-thieno[4,5-d]pyrazole-5-carbonyl]piperidine-3-carbox (3S)-1-[1-[(2,4-dichlorophenyl)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) 4.25 10.19 -55.29 0 6 -1 78 451.355 4 ↓

Analogs

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Popular Name: (3R)-1-[1-[(2,6-dichlorophenyl)methyl]-3-methyl-thieno[4,5-d]pyrazole-5-carbonyl]piperidine-3-carbox (3R)-1-[1-[(2,6-dichlorophenyl)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) 4.23 10.24 -54.82 0 6 -1 78 451.355 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[1-[(2,6-dichlorophenyl)methyl]-3-methyl-thieno[4,5-d]pyrazole-5-carbonyl]piperidine-3-carbox (3S)-1-[1-[(2,6-dichlorophenyl)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) 4.23 10.22 -54.77 0 6 -1 78 451.355 4 ↓

Analogs

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Popular Name: (3R)-1-[1-[(4-fluorophenyl)methyl]-3-methyl-thieno[4,5-d]pyrazole-5-carbonyl]piperidine-3-carboxylic (3R)-1-[1-[(4-fluorophenyl)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) 3.13 9.7 -55.94 0 6 -1 78 400.455 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[1-[(4-fluorophenyl)methyl]-3-methyl-thieno[4,5-d]pyrazole-5-carbonyl]piperidine-3-carboxylic (3S)-1-[1-[(4-fluorophenyl)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) 3.13 9.73 -55.77 0 6 -1 78 400.455 4 ↓

Analogs

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Popular Name: 1-[1-[(2-chlorophenyl)methyl]-3-methyl-thieno[4,5-d]pyrazole-5-carbonyl]piperidine-4-carboxylic 1-[1-[(2-chlorophenyl)methyl]-3-…

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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) 3.60 10.15 -52.02 0 6 -1 78 416.91 4 ↓

Analogs

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Popular Name: 1-[1-[(2,4-dichlorophenyl)methyl]-3-methyl-thieno[4,5-d]pyrazole-5-carbonyl]piperidine-4-carboxylic 1-[1-[(2,4-dichlorophenyl)methyl…

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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) 4.25 10.3 -51.24 0 6 -1 78 451.355 4 ↓

Analogs

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Popular Name: 1-[1-[(2,6-dichlorophenyl)methyl]-3-methyl-thieno[4,5-d]pyrazole-5-carbonyl]piperidine-4-carboxylic 1-[1-[(2,6-dichlorophenyl)methyl…

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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) 4.23 10.23 -51.93 0 6 -1 78 451.355 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[1-[(4-fluorophenyl)methyl]-3-methyl-thieno[4,5-d]pyrazole-5-carbonyl]piperidine-4-carboxylic 1-[1-[(4-fluorophenyl)methyl]-3-…

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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 9.69 -51.76 0 6 -1 78 400.455 4 ↓

Analogs

14250060
14250060

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Popular Name: (3R)-1-[1-[(2-chlorophenyl)methyl]-3-methyl-thieno[4,5-d]pyrazole-5-carbonyl]piperidine-3-carboxamid (3R)-1-[1-[(2-chlorophenyl)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) 3.08 7.08 -14.47 2 6 0 81 416.934 4 ↓

Analogs

14250058
14250058

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Popular Name: (3S)-1-[1-[(2-chlorophenyl)methyl]-3-methyl-thieno[4,5-d]pyrazole-5-carbonyl]piperidine-3-carboxamid (3S)-1-[1-[(2-chlorophenyl)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) 3.08 7.13 -14.13 2 6 0 81 416.934 4 ↓

Parameters Provided:

ring.id = 121690
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 = 121690 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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