UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: methyl 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) 4.09 9.93 -14.68 0 6 0 64 426.325 6 ↓

Analogs

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Popular Name: methyl 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) 4.08 9.37 -13.13 1 6 0 73 440.352 8 ↓

Analogs

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Popular Name: N-[(2S)-2-dimethylamino-3-methyl-butyl]-1-[(4-fluorophenyl)methyl]-3-methyl-thieno[4,5-d]pyrazole-5- N-[(2S)-2-dimethylamino-3-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) 4.01 11.29 -47.18 2 5 1 51 403.547 7 ↓
Hi High (pH 8-9.5) 4.01 9.36 -11.43 1 5 0 50 402.539 7 ↓

Analogs

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Popular Name: N-[(2R)-2-dimethylamino-3-methyl-butyl]-1-[(4-fluorophenyl)methyl]-3-methyl-thieno[4,5-d]pyrazole-5- N-[(2R)-2-dimethylamino-3-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) 4.01 10.99 -48.84 2 5 1 51 403.547 7 ↓
Hi High (pH 8-9.5) 4.01 9.14 -10.81 1 5 0 50 402.539 7 ↓

Analogs

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Popular Name: ethyl 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) 4.17 10.42 -7.78 0 4 0 44 314.41 5 ↓

Analogs

14165792
14165792

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Popular Name: 1-[(2,6-dichlorophenyl)methyl]-N,N,3-trimethyl-thieno[4,5-d]pyrazole-5-carboxamide 1-[(2,6-dichlorophenyl)methyl]-N…

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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) 4.21 8.68 -11.41 0 4 0 38 368.289 3 ↓

Analogs

25520409
25520409

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Popular Name: 1-[(4-chlorophenyl)methyl]-3-methyl-N-(2-methylamino-2-oxo-ethyl)thieno[4,5-d]pyrazole-5-carboxamide 1-[(4-chlorophenyl)methyl]-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) 2.99 5.39 -12.37 2 6 0 76 376.869 5 ↓

Analogs

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Popular Name: 1-[(2,4-dichlorophenyl)methyl]-N-[2-(2-methoxyethylamino)-2-oxo-ethyl]-N,3-dimethyl-thieno[4,5-d]pyr 1-[(2,4-dichlorophenyl)methyl]-N…

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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) 3.82 7.34 -17.94 1 7 0 76 469.394 8 ↓

Analogs

23422260
23422260

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Popular Name: 1-benzyl-N-ethoxy-3-methyl-thieno[4,5-d]pyrazole-5-carboxamide 1-benzyl-N-ethoxy-3-methyl-thien…

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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) 3.04 8.35 -12.27 1 5 0 56 315.398 5 ↓

Analogs

3383930
3383930

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Popular Name: 1-benzyl-3-methyl-thieno[2,3-c]pyrazole-5-carboxylic-acid-[2-keto-2-(2,2,2-trifluoroethylamino)ethyl 1-benzyl-3-methyl-thieno[2,3-c]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) 3.37 1.67 -12.02 1 6 0 73 411.405 8 ↓

Analogs

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Popular Name: 1-benzyl-3-propyl-thieno[2,3-c]pyrazole-5-carboxylic 1-benzyl-3-propyl-thieno[2,3-c]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) 4.16 10.29 -48.17 0 4 -1 58 299.375 5 ↓

Analogs

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Popular Name: 1-benzyl-3-isopropyl-thieno[2,3-c]pyrazole-5-carboxylic 1-benzyl-3-isopropyl-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) 4.14 10.09 -48.45 0 4 -1 58 299.375 4 ↓

Parameters Provided:

ring.id = 108775
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 = 108775 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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