UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36615361
36615361

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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) 4.24 13.88 -17.59 0 8 0 103 414.421 6 ↓

Analogs

36615361
36615361
36615379
36615379

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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) 5.59 14.49 -11.32 0 5 0 57 438.314 5 ↓

Analogs

20615413
20615413
20615417
20615417
20615462
20615462

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Popular Name: 3-cyclopropyl-4-(difluoromethyl)-6-(2-methoxyphenyl)-1-(4-methoxyphenyl)pyrazolo[5,4-b]pyridine 3-cyclopropyl-4-(difluoromethyl)…

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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) 5.08 12.63 -16.64 0 5 0 49 421.447 6 ↓

Analogs

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Popular Name: 3-cyclopropyl-6-(3,4-dichlorophenyl)-4-(difluoromethyl)-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine 3-cyclopropyl-6-(3,4-dichlorophe…

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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) 6.46 14.57 -10.75 0 3 0 31 448.275 4 ↓

Analogs

20615401
20615401
20615419
20615419
20615420
20615420
17077529
17077529

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Popular Name: 3-cyclopropyl-4-(difluoromethyl)-1,6-diphenyl-pyrazolo[5,4-b]pyridine 3-cyclopropyl-4-(difluoromethyl)…

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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) 5.01 13.62 -14.62 0 3 0 31 361.395 4 ↓

Analogs

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Popular Name: 3-cyclopropyl-4-(difluoromethyl)-6-(3,4-dimethylphenyl)-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine 3-cyclopropyl-4-(difluoromethyl)…

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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) 6.00 14.92 -12.38 0 3 0 31 407.439 4 ↓

Analogs

20615297
20615297
17077529
17077529

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Popular Name: 3-cyclopropyl-4-(difluoromethyl)-1-phenyl-6-(p-tolyl)pyrazolo[5,4-b]pyridine 3-cyclopropyl-4-(difluoromethyl)…

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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) 5.46 14.24 -11.49 0 3 0 31 375.422 4 ↓

Analogs

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Popular Name: 6-(4-bromophenyl)-3-cyclopropyl-4-(difluoromethyl)-1-phenyl-pyrazolo[5,4-b]pyridine 6-(4-bromophenyl)-3-cyclopropyl-…

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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) 5.82 14.21 -10.51 0 3 0 31 440.291 4 ↓

Analogs

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Popular Name: 3-cyclopropyl-4-(difluoromethyl)-6-(3,4-dimethylphenyl)-1-phenyl-pyrazolo[5,4-b]pyridine 3-cyclopropyl-4-(difluoromethyl)…

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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) 5.84 14.94 -14.6 0 3 0 31 389.449 4 ↓

Analogs

20615036
20615036

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Popular Name: 3-cyclopropyl-6-(2-methoxyphenyl)-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine 3-cyclopropyl-6-(2-methoxyphenyl…

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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) 5.38 13.41 -11.9 0 4 0 40 409.411 5 ↓

Analogs

20604368
20604368

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Popular Name: 3-cyclopropyl-6-(2,5-dimethoxyphenyl)-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine 3-cyclopropyl-6-(2,5-dimethoxyph…

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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) 5.41 12.73 -11.83 0 5 0 49 439.437 6 ↓

Analogs

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Popular Name: 3-cyclopropyl-6-(3-methoxyphenyl)-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine 3-cyclopropyl-6-(3-methoxyphenyl…

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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) 5.40 13.02 -11.72 0 4 0 40 409.411 5 ↓

Analogs

20615036
20615036

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Popular Name: 3-cyclopropyl-4-(difluoromethyl)-6-(2-methoxyphenyl)-1-phenyl-pyrazolo[5,4-b]pyridine 3-cyclopropyl-4-(difluoromethyl)…

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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) 5.02 13.32 -17.02 0 4 0 40 391.421 5 ↓

Analogs

20615297
20615297
17077529
17077529

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Popular Name: 3-cyclopropyl-1-phenyl-6-(p-tolyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine 3-cyclopropyl-1-phenyl-6-(p-toly…

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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) 5.82 14.37 -9.35 0 3 0 31 393.412 4 ↓

Analogs

20615297
20615297
17077529
17077529

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Popular Name: 3-cyclopropyl-4-(difluoromethyl)-6-(4-ethylphenyl)-1-phenyl-pyrazolo[5,4-b]pyridine 3-cyclopropyl-4-(difluoromethyl)…

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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) 5.93 15.02 -11.31 0 3 0 31 389.449 5 ↓

Analogs

36615422
36615422
20602987
20602987

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Popular Name: 3-cyclopropyl-1,6-bis(4-methoxyphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine 3-cyclopropyl-1,6-bis(4-methoxyp…

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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) 5.48 12.25 -10.21 0 5 0 49 439.437 6 ↓

Analogs

20602983
20602983

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Popular Name: 3-cyclopropyl-6-(4-fluorophenyl)-1-(4-methoxyphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine 3-cyclopropyl-6-(4-fluorophenyl)…

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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) 5.59 12.99 -9.08 0 4 0 40 427.401 5 ↓

Analogs

20602870
20602870
20602879
20602879
20603179
20603179
20604358
20604358

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Popular Name: 3-cyclopropyl-1-(4-methoxyphenyl)-6-(p-tolyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine 3-cyclopropyl-1-(4-methoxyphenyl…

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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) 5.88 13.58 -9.16 0 4 0 40 423.438 5 ↓

Analogs

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Popular Name: 3-cyclopropyl-6-(3-methoxyphenyl)-1-(4-methoxyphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine 3-cyclopropyl-6-(3-methoxyphenyl…

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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) 5.46 12.23 -11.38 0 5 0 49 439.437 6 ↓

Analogs

20615036
20615036

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Popular Name: 3-cyclopropyl-6-(2-methoxyphenyl)-1-(4-methoxyphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine 3-cyclopropyl-6-(2-methoxyphenyl…

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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) 5.44 12.72 -11.66 0 5 0 49 439.437 6 ↓

Parameters Provided:

ring.id = 73782
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 = 73782 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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