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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: [4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-[1-methyl-3-(trifluoromethyl)thieno[4,5-d]pyrazol-5-y [4-[(2,4-dichlorophenyl)methyl]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) 4.84 8.77 -11.65 0 5 0 41 477.339 4 ↓
Mid Mid (pH 6-8) 4.84 11.05 -54.13 1 5 1 43 478.347 4 ↓

Analogs

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Popular Name: [4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[1-methyl-3-(trifluoromethyl)thieno[4,5-d]pyrazol-5-yl]me [4-[(4-fluorophenyl)methyl]piper…

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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) 3.72 7.65 -11.74 0 5 0 41 426.439 4 ↓
Mid Mid (pH 6-8) 3.72 9.98 -60.51 1 5 1 43 427.447 4 ↓

Analogs

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Popular Name: [1-methyl-3-(trifluoromethyl)thieno[4,5-d]pyrazol-5-yl]-[4-(m-tolylmethyl)piperazin-1-yl]methanone [1-methyl-3-(trifluoromethyl)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) 3.98 8.36 -11.85 0 5 0 41 422.476 4 ↓
Mid Mid (pH 6-8) 3.98 10.65 -56.55 1 5 1 43 423.484 4 ↓

Analogs

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Popular Name: [4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[1-methyl-3-(trifluoromethyl)thieno[4,5-d]pyrazol-5-yl]me [4-[(4-chlorophenyl)methyl]piper…

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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 8.1 -11.07 0 5 0 41 442.894 4 ↓
Mid Mid (pH 6-8) 4.23 10.43 -59.49 1 5 1 43 443.902 4 ↓

Analogs

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Popular Name: [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[1-methyl-3-(trifluoromethyl)thieno[4,5-d]pyrazol-5-yl]me [4-[(3-chlorophenyl)methyl]piper…

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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 8.03 -11.18 0 5 0 41 442.894 4 ↓
Mid Mid (pH 6-8) 4.21 10.36 -57.56 1 5 1 43 443.902 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[1-methyl-3-(trifluoromethyl)thieno[4,5-d]pyrazol-5-yl]me [4-[(2-fluorophenyl)methyl]piper…

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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) 3.67 7.6 -13.96 0 5 0 41 426.439 4 ↓
Mid Mid (pH 6-8) 3.67 9.89 -55.96 1 5 1 43 427.447 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[1-methyl-3-(trifluoromethyl)thieno[4,5-d]pyrazol-5-yl]me [4-[(3-fluorophenyl)methyl]piper…

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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) 3.70 7.59 -11.76 0 5 0 41 426.439 4 ↓
Mid Mid (pH 6-8) 3.70 9.92 -58.57 1 5 1 43 427.447 4 ↓

Analogs

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Popular Name: [4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-1-yl]-[1-methyl-3-(trifluoromethyl)thieno[4,5-d]pyraz [4-[(2-chloro-6-fluoro-phenyl)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) 4.30 8.1 -11.59 0 5 0 41 460.884 4 ↓
Mid Mid (pH 6-8) 4.30 10.38 -47.09 1 5 1 43 461.892 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-methyl-3-(trifluoromethyl)thieno[4,5-d]pyrazol-5-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]pipera [1-methyl-3-(trifluoromethyl)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) 4.43 8.7 -14.28 0 5 0 41 476.446 5 ↓
Mid Mid (pH 6-8) 4.43 10.99 -64.18 1 5 1 43 477.454 5 ↓

Analogs

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Popular Name: [4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]-(1-isobutyl-3-methyl-thieno[4,5-d]pyrazol-5-yl [4-[(3-fluoro-4-methoxy-phenyl)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) 3.91 8.97 -12.73 0 6 0 51 444.576 6 ↓

Parameters Provided:

ring.id = 75184
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 = 75184 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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