UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(1R)-1-(4-fluorophenyl)ethyl]-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide N-[(1R)-1-(4-fluorophenyl)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) 2.48 7.64 -19.83 1 5 0 59 312.348 3 ↓

Analogs

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Popular Name: N-[(1S)-1-(4-fluorophenyl)ethyl]-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide N-[(1S)-1-(4-fluorophenyl)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) 2.48 7.64 -19.81 1 5 0 59 312.348 3 ↓

Analogs

36380094
36380094

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Popular Name: 7-(difluoromethyl)-5-methyl-N-[2-(trifluoromethyl)benzyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide 7-(difluoromethyl)-5-methyl-N-[2…

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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) 3.16 8.34 -17.71 1 5 0 59 384.308 5 ↓

Analogs

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Popular Name: N,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide N,5-dimethyl-N-[[2-(trifluoromet…

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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) 2.15 9.34 -19.21 0 5 0 51 348.328 4 ↓

Analogs

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Popular Name: N-[(3-ethoxyphenyl)methyl]-5-methyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide N-[(3-ethoxyphenyl)methyl]-5-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) 1.94 6.39 -18.8 1 6 0 69 310.357 5 ↓

Analogs

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Popular Name: N-[(2,5-difluorophenyl)methyl]-2-methyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide N-[(2,5-difluorophenyl)methyl]-2…

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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) 1.57 6.13 -16.37 1 5 0 59 302.284 3 ↓

Analogs

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Popular Name: N-[(3-fluoro-4-isopropoxy-phenyl)methyl]-2-methyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide N-[(3-fluoro-4-isopropoxy-phenyl…

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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) 2.20 6.96 -18.29 1 6 0 69 342.374 5 ↓

Analogs

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Popular Name: N-benzyl-N-ethyl-5-methyl-7-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide N-benzyl-N-ethyl-5-methyl-7-oxo-…

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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) 1.59 6.42 -50 0 6 -1 74 309.349 4 ↓
Mid Mid (pH 6-8) 1.13 7.79 -18.59 1 6 0 70 310.357 4 ↓

Analogs

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Popular Name: N-[(4-ethylphenyl)methyl]-5-methyl-7-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide N-[(4-ethylphenyl)methyl]-5-meth…

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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) 2.35 5.05 -48.13 1 6 -1 82 309.349 4 ↓
Mid Mid (pH 6-8) 1.89 6.44 -16.94 2 6 0 79 310.357 4 ↓

Analogs

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Popular Name: N-[(4-ethoxyphenyl)methyl]-5-methyl-7-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide N-[(4-ethoxyphenyl)methyl]-5-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) 1.87 3.83 -48.87 1 7 -1 92 325.348 5 ↓
Mid Mid (pH 6-8) 1.41 5.24 -18.53 2 7 0 89 326.356 5 ↓

Analogs

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Popular Name: N-[(1R)-1-(4-ethylsulfanylphenyl)ethyl]-2-methyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide N-[(1R)-1-(4-ethylsulfanylphenyl…

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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) 2.68 8.77 -16.31 1 5 0 59 340.452 5 ↓

Analogs

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Popular Name: N-[(1S)-1-(4-ethylsulfanylphenyl)ethyl]-2-methyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide N-[(1S)-1-(4-ethylsulfanylphenyl…

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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) 2.68 8.77 -16.56 1 5 0 59 340.452 5 ↓

Analogs

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Popular Name: N-[[4-(aminomethyl)phenyl]methyl]-6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide N-[[4-(aminomethyl)phenyl]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) 0.81 6.68 -105.67 5 7 2 91 368.485 8 ↓
Hi High (pH 8-9.5) 0.81 4.23 -14.91 3 7 0 89 366.469 8 ↓
Mid Mid (pH 6-8) 0.81 4.63 -60.15 4 7 1 90 367.477 8 ↓

Analogs

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Popular Name: N-[(3-hydroxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide N-[(3-hydroxyphenyl)methyl]pyraz…

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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) 0.59 2.68 -19.36 2 6 0 80 268.276 3 ↓

Analogs

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Popular Name: N-[(3-chlorophenyl)methyl]-6-(diethylaminomethyl)-N-methyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide N-[(3-chlorophenyl)methyl]-6-(di…

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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) 2.06 10.87 -53.98 1 6 1 55 386.907 7 ↓
Mid Mid (pH 6-8) 2.06 8.7 -14.8 0 6 0 54 385.899 7 ↓

Analogs

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Popular Name: 6-(diethylaminomethyl)-N-[(1S)-2-hydroxy-1-phenyl-ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide 6-(diethylaminomethyl)-N-[(1S)-2…

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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) 1.18 6.33 -54.54 3 7 1 84 368.461 8 ↓
Mid Mid (pH 6-8) 1.18 4.27 -15.31 2 7 0 83 367.453 8 ↓

Parameters Provided:

ring.id = 81382
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 = 81382 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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