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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: (1S)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-[4-(trifluoromethoxy)phenyl] (1S)-N-[[(6R)-4,5,6,7-tetrahydro…

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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 6.36 -58.84 3 5 1 56 341.357 6 ↓
Hi High (pH 8-9.5) 3.31 5.24 -7.86 2 5 0 51 340.349 6 ↓
Mid Mid (pH 6-8) 3.31 6.52 -105.43 4 5 2 57 342.365 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-[4-(trifluoromethoxy)phenyl] (1R)-N-[[(6R)-4,5,6,7-tetrahydro…

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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 6.33 -59.18 3 5 1 56 341.357 6 ↓
Hi High (pH 8-9.5) 3.31 5.25 -9.1 2 5 0 51 340.349 6 ↓
Mid Mid (pH 6-8) 3.31 6.49 -105.81 4 5 2 57 342.365 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-[4-(trifluoromethoxy)phenyl] (1S)-N-[[(6S)-4,5,6,7-tetrahydro…

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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 6.35 -59.22 3 5 1 56 341.357 6 ↓
Hi High (pH 8-9.5) 3.31 5.4 -7.59 2 5 0 51 340.349 6 ↓
Mid Mid (pH 6-8) 3.31 6.51 -105.84 4 5 2 57 342.365 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-[4-(trifluoromethoxy)phenyl] (1R)-N-[[(6S)-4,5,6,7-tetrahydro…

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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 6.33 -58.83 3 5 1 56 341.357 6 ↓
Hi High (pH 8-9.5) 3.31 5.4 -8.03 2 5 0 51 340.349 6 ↓
Mid Mid (pH 6-8) 3.31 6.49 -105.47 4 5 2 57 342.365 6 ↓

Analogs

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Popular Name: (1S)-1-(4-fluorophenyl)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]ethanamine (1S)-1-(4-fluorophenyl)-N-[[(6R)…

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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) 2.51 6.62 -58.27 3 4 1 46 275.351 4 ↓
Hi High (pH 8-9.5) 2.51 5.52 -8.06 2 4 0 42 274.343 4 ↓
Mid Mid (pH 6-8) 2.51 6.78 -104.71 4 4 2 48 276.359 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-fluorophenyl)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]ethanamine (1R)-1-(4-fluorophenyl)-N-[[(6R)…

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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) 2.51 6.6 -58.57 3 4 1 46 275.351 4 ↓
Hi High (pH 8-9.5) 2.51 5.52 -9.23 2 4 0 42 274.343 4 ↓
Mid Mid (pH 6-8) 2.51 6.76 -105.06 4 4 2 48 276.359 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-fluorophenyl)-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]ethanamine (1S)-1-(4-fluorophenyl)-N-[[(6S)…

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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) 2.51 6.62 -58.6 3 4 1 46 275.351 4 ↓
Hi High (pH 8-9.5) 2.51 5.67 -7.74 2 4 0 42 274.343 4 ↓
Mid Mid (pH 6-8) 2.51 6.78 -105.11 4 4 2 48 276.359 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-fluorophenyl)-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]ethanamine (1R)-1-(4-fluorophenyl)-N-[[(6S)…

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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) 2.51 6.6 -58.27 3 4 1 46 275.351 4 ↓
Hi High (pH 8-9.5) 2.51 5.68 -8.2 2 4 0 42 274.343 4 ↓
Mid Mid (pH 6-8) 2.51 6.76 -104.65 4 4 2 48 276.359 4 ↓

Analogs

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Popular Name: (1S)-1-(4-chlorophenyl)-2-methyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]pro (1S)-1-(4-chlorophenyl)-2-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) 3.77 8.27 -56.14 3 4 1 46 319.86 5 ↓
Hi High (pH 8-9.5) 3.77 7.4 -6.93 2 4 0 42 318.852 5 ↓
Mid Mid (pH 6-8) 3.77 8.43 -101.61 4 4 2 48 320.868 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]methyl]phenyl]methanol [2-[[[(6R)-4,5,6,7-tetrahydropyr…

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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) 1.07 3.38 -59.42 4 5 1 67 273.36 5 ↓
Hi High (pH 8-9.5) 1.07 2 -10.11 3 5 0 62 272.352 5 ↓
Mid Mid (pH 6-8) 1.07 3.54 -105.73 5 5 2 68 274.368 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]methyl]phenyl]methanol [2-[[[(6S)-4,5,6,7-tetrahydropyr…

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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) 1.07 3.38 -59.48 4 5 1 67 273.36 5 ↓
Hi High (pH 8-9.5) 1.07 2.18 -9.28 3 5 0 62 272.352 5 ↓
Mid Mid (pH 6-8) 1.07 3.54 -105.76 5 5 2 68 274.368 5 ↓

Parameters Provided:

ring.id = 179982
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 = 179982 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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