UCSF
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Analogs

4502598
4502598

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Popular Name: 2-(4-bromo-1-methyl-pyrazol-3-yl)-5-phenyl-1,3,4-oxadiazole 2-(4-bromo-1-methyl-pyrazol-3-yl…

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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) 2.79 2.66 -12.69 0 5 0 57 305.135 2 ↓

Analogs

4502598
4502598

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Popular Name: 2-(4-chloro-1-ethyl-pyrazol-3-yl)-5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazole 2-(4-chloro-1-ethyl-pyrazol-3-yl…

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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) 3.65 -0.02 -13.81 0 6 0 65 340.717 5 ↓

Analogs

4502598
4502598

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Popular Name: 2-[4-(difluoromethoxy)phenyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazole 2-[4-(difluoromethoxy)phenyl]-5-…

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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) 3.80 1.71 -9.57 0 6 0 65 360.242 5 ↓

Analogs

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Popular Name: 2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole 2-[1-methyl-5-(trifluoromethyl)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) 4.06 2.87 -8.69 0 5 0 56 362.233 4 ↓

Analogs

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Popular Name: 2-[4-(difluoromethoxy)-3-methoxy-phenyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazo 2-[4-(difluoromethoxy)-3-methoxy…

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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) 3.39 2.04 -10.07 0 7 0 75 390.268 6 ↓

Analogs

4502598
4502598

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Popular Name: 2-[4-(difluoromethoxy)phenyl]-5-(4-iodo-1-methyl-pyrazol-3-yl)-1,3,4-oxadiazole 2-[4-(difluoromethoxy)phenyl]-5-…

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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) 3.68 2.79 -13.13 0 6 0 66 418.141 4 ↓

Analogs

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Popular Name: 2-(4-iodo-1-methyl-pyrazol-3-yl)-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole 2-(4-iodo-1-methyl-pyrazol-3-yl)…

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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) 3.94 4.23 -12.05 0 5 0 57 420.132 3 ↓

Analogs

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Popular Name: 2-(4-chloro-1,5-dimethyl-pyrazol-3-yl)-5-phenyl-1,3,4-oxadiazole 2-(4-chloro-1,5-dimethyl-pyrazol…

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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) 2.88 -1.05 -12.86 0 5 0 56 274.711 2 ↓

Analogs

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Popular Name: 2-(4-bromo-1,5-dimethyl-pyrazol-3-yl)-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole 2-(4-bromo-1,5-dimethyl-pyrazol-…

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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) 3.88 0.6 -12.8 0 5 0 56 387.159 3 ↓

Analogs

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Popular Name: 2-(4-chloro-1,5-dimethyl-pyrazol-3-yl)-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole 2-(4-chloro-1,5-dimethyl-pyrazol…

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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) 3.75 1.13 -12.89 0 5 0 56 342.708 3 ↓

Analogs

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Popular Name: 2-(4-bromo-1,5-dimethyl-pyrazol-3-yl)-5-[4-(difluoromethoxy)-3-methoxy-phenyl]-1,3,4-oxadiazole 2-(4-bromo-1,5-dimethyl-pyrazol-…

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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) 3.22 2.62 -14.18 0 7 0 75 415.194 5 ↓

Analogs

4502598
4502598

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Popular Name: 2-(4-chloro-1,5-dimethyl-pyrazol-3-yl)-5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazole 2-(4-chloro-1,5-dimethyl-pyrazol…

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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) 3.49 -0.03 -13.85 0 6 0 65 340.717 4 ↓

Analogs

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Popular Name: 2-(4-chloro-1,5-dimethyl-pyrazol-3-yl)-5-[4-(difluoromethoxy)-3-methoxy-phenyl]-1,3,4-oxadiazole 2-(4-chloro-1,5-dimethyl-pyrazol…

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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 0.29 -14.21 0 7 0 75 370.743 5 ↓

Analogs

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Popular Name: 2-(4-chloro-1-ethyl-pyrazol-3-yl)-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole 2-(4-chloro-1-ethyl-pyrazol-3-yl…

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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 1.14 -12.78 0 5 0 56 342.708 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-bromo-1-ethyl-pyrazol-3-yl)-5-[4-(difluoromethoxy)-3-methoxy-phenyl]-1,3,4-oxadiazole 2-(4-bromo-1-ethyl-pyrazol-3-yl)…

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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 3.04 -13.99 0 7 0 75 415.194 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chloro-1-ethyl-pyrazol-3-yl)-5-[4-(difluoromethoxy)-3-methoxy-phenyl]-1,3,4-oxadiazole 2-(4-chloro-1-ethyl-pyrazol-3-yl…

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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) 3.24 0.31 -14.21 0 7 0 75 370.743 6 ↓

Parameters Provided:

ring.id = 235221
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 = 235221 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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