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

Analogs

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Popular Name: (2S)-1-[3-methyl-1-[3-(trifluoromethyl)phenyl]thieno[4,5-d]pyrazole-5-carbonyl]pyrrolidine-2-carboxy (2S)-1-[3-methyl-1-[3-(trifluoro…

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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 9.7 -63.5 0 6 -1 78 422.408 4 ↓

Analogs

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

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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) 0.81 8.7 -64.04 0 6 -1 78 354.411 3 ↓

Analogs

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Popular Name: (2S)-1-[1-(4-fluorophenyl)-3-methyl-thieno[4,5-d]pyrazole-5-carbonyl]pyrrolidine-2-carboxylic (2S)-1-[1-(4-fluorophenyl)-3-met…

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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) 0.97 8.77 -61.91 0 6 -1 78 372.401 3 ↓

Analogs

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

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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) 1.67 9.22 -63.11 0 6 -1 78 388.856 3 ↓

Analogs

2406940
2406940
5699634
5699634
5783117
5783117

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Popular Name: [1-(4-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazol-5-yl]-pyrrolidino-methanone [1-(4-chlorophenyl)-3-methyl-thi…

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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) 3.71 -0.1 -10.32 0 4 0 38 345.855 2 ↓

Analogs

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Popular Name: [3-methyl-1-(o-tolyl)thieno[2,3-c]pyrazol-5-yl]-pyrrolidino-methanone [3-methyl-1-(o-tolyl)thieno[2,3-…

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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) 3.64 0.49 -11.8 0 4 0 38 325.437 2 ↓

Analogs

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Popular Name: (2S,4S)-4-amino-N-methyl-1-(3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carbonyl)pyrrolidine-2-carboxa (2S,4S)-4-amino-N-methyl-1-(3-me…

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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) 0.72 5.69 -76.57 4 7 1 95 384.485 3 ↓

Parameters Provided:

ring.id = 121056
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 = 121056 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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