UCSF
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Analogs

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Popular Name: 1-(2,5-dimethylphenyl)-3-[1-(2-methylbenzyl)pyrazol-4-yl]thiourea 1-(2,5-dimethylphenyl)-3-[1-(2-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) 3.61 0.16 -17 2 4 0 41 350.491 6 ↓

Analogs

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Popular Name: 1-(2,3-dimethylphenyl)-3-[1-(2-methylbenzyl)pyrazol-4-yl]thiourea 1-(2,3-dimethylphenyl)-3-[1-(2-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) 3.58 0.09 -16.87 2 4 0 41 350.491 6 ↓

Analogs

6629432
6629432
39968789
39968789

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Popular Name: 1-(2,4-dimethylphenyl)-3-[1-(2-methylbenzyl)pyrazol-4-yl]thiourea 1-(2,4-dimethylphenyl)-3-[1-(2-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) 3.61 0.19 -16.8 2 4 0 41 350.491 6 ↓

Analogs

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Popular Name: 1-[1-(2-methylbenzyl)pyrazol-4-yl]-3-(m-tolyl)thiourea 1-[1-(2-methylbenzyl)pyrazol-4-y…

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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) 3.21 -0.34 -16.82 2 4 0 41 336.464 6 ↓

Analogs

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Popular Name: 1-(2,4-dichlorophenyl)-3-[1-(2-methylbenzyl)pyrazol-4-yl]thiourea 1-(2,4-dichlorophenyl)-3-[1-(2-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) 4.07 -0.81 -13.37 2 4 0 41 391.327 6 ↓

Analogs

6629432
6629432

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Popular Name: 1-(3,4-dimethylphenyl)-3-[1-(2-methylbenzyl)pyrazol-4-yl]thiourea 1-(3,4-dimethylphenyl)-3-[1-(2-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) 3.61 -0.05 -17.04 2 4 0 41 350.491 6 ↓

Analogs

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Popular Name: 1-(2-fluoro-5-methyl-phenyl)-3-[1-(2-methylbenzyl)pyrazol-4-yl]thiourea 1-(2-fluoro-5-methyl-phenyl)-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) 3.32 0.42 -14.26 2 4 0 41 354.454 6 ↓

Analogs

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Popular Name: 1-(5-fluoro-2-methyl-phenyl)-3-[1-(2-methylbenzyl)pyrazol-4-yl]thiourea 1-(5-fluoro-2-methyl-phenyl)-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) 3.32 0.6 -19.04 2 4 0 41 354.454 6 ↓

Analogs

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Popular Name: 1-(2,5-difluorophenyl)-3-[1-(2-methylbenzyl)pyrazol-4-yl]thiourea 1-(2,5-difluorophenyl)-3-[1-(2-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) 3.04 0.86 -16.03 2 4 0 41 358.417 6 ↓

Analogs

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Popular Name: 1-(4-fluoro-2-methyl-phenyl)-3-[1-(2-methylbenzyl)pyrazol-4-yl]thiourea 1-(4-fluoro-2-methyl-phenyl)-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) 3.32 0.61 -17.13 2 4 0 41 354.454 6 ↓

Analogs

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Popular Name: 1-(2,4-difluorophenyl)-3-[1-(2-methylbenzyl)pyrazol-4-yl]thiourea 1-(2,4-difluorophenyl)-3-[1-(2-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) 3.04 0.84 -14.64 2 4 0 41 358.417 6 ↓

Analogs

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Popular Name: 1-(3-fluorophenyl)-3-[1-(2-methylbenzyl)pyrazol-4-yl]thiourea 1-(3-fluorophenyl)-3-[1-(2-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) 2.92 0.08 -19.85 2 4 0 41 340.427 6 ↓

Analogs

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Popular Name: 1-(3,4-difluorophenyl)-3-[1-(2-methylbenzyl)pyrazol-4-yl]thiourea 1-(3,4-difluorophenyl)-3-[1-(2-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) 3.04 0.81 -20.85 2 4 0 41 358.417 6 ↓

Analogs

6347282
6347282
39968727
39968727

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Popular Name: 1-(2,4-difluorophenyl)-3-[1-(3-fluorobenzyl)pyrazol-4-yl]thiourea 1-(2,4-difluorophenyl)-3-[1-(3-f…

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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) 2.78 1.25 -15.54 2 4 0 41 362.38 6 ↓

Analogs

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Popular Name: 1-[1-(4-chlorobenzyl)pyrazol-4-yl]-3-(2,5-difluorophenyl)thiourea 1-[1-(4-chlorobenzyl)pyrazol-4-y…

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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) 3.31 0.38 -17.22 2 4 0 41 378.835 6 ↓

Analogs

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Popular Name: 1-[1-(4-chlorobenzyl)pyrazol-4-yl]-3-(3,4-difluorophenyl)thiourea 1-[1-(4-chlorobenzyl)pyrazol-4-y…

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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) 3.31 0.33 -17.89 2 4 0 41 378.835 6 ↓

Parameters Provided:

ring.id = 238322
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 = 238322 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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