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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-5-methyl-2,7-diphenyl-N-(3-pyridyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (7R)-5-methyl-2,7-diphenyl-N-(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) 3.87 12.64 -11.78 2 7 0 85 408.465 4 ↓
Hi High (pH 8-9.5) 4.05 12.5 -46.38 1 7 -1 86 407.457 4 ↓
Mid Mid (pH 6-8) 4.05 13 -32.99 3 7 1 90 409.473 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-5-methyl-2,7-diphenyl-N-(3-pyridyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (7S)-5-methyl-2,7-diphenyl-N-(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) 3.87 12.62 -11.77 2 7 0 85 408.465 4 ↓
Hi High (pH 8-9.5) 4.05 12.28 -45.28 1 7 -1 86 407.457 4 ↓
Mid Mid (pH 6-8) 4.05 12.79 -33.48 3 7 1 90 409.473 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-7-(2-chlorophenyl)-5-methyl-2-phenyl-N-(3-pyridyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (7S)-7-(2-chlorophenyl)-5-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) 4.50 13.15 -12.17 2 7 0 85 442.91 4 ↓
Hi High (pH 8-9.5) 4.68 12.52 -48.17 1 7 -1 86 441.902 4 ↓
Mid Mid (pH 6-8) 4.68 13.03 -34.28 3 7 1 90 443.918 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-7-(2-chlorophenyl)-5-methyl-2-phenyl-N-(3-pyridyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (7R)-7-(2-chlorophenyl)-5-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) 4.50 13.15 -11.86 2 7 0 85 442.91 4 ↓
Hi High (pH 8-9.5) 4.68 12.5 -47.45 1 7 -1 86 441.902 4 ↓
Mid Mid (pH 6-8) 4.68 13.02 -33.56 3 7 1 90 443.918 4 ↓

Analogs

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Popular Name: (7S)-7-(2,4-dichlorophenyl)-5-methyl-2-phenyl-N-(3-pyridyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimi (7S)-7-(2,4-dichlorophenyl)-5-me…

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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) 5.15 13.66 -10.81 2 7 0 85 477.355 4 ↓
Hi High (pH 8-9.5) 5.33 13.04 -43.15 1 7 -1 86 476.347 4 ↓
Mid Mid (pH 6-8) 5.33 13.55 -35.56 3 7 1 90 478.363 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-7-(2,4-dichlorophenyl)-5-methyl-2-phenyl-N-(3-pyridyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimi (7R)-7-(2,4-dichlorophenyl)-5-me…

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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) 5.15 13.66 -10.62 2 7 0 85 477.355 4 ↓
Hi High (pH 8-9.5) 5.33 13.02 -42.07 1 7 -1 86 476.347 4 ↓
Mid Mid (pH 6-8) 5.33 13.52 -34.62 3 7 1 90 478.363 4 ↓

Analogs

8584756
8584756
8584757
8584757

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-7-(3,4-dimethoxyphenyl)-5-methyl-2-phenyl-N-(3-pyridyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrim (7R)-7-(3,4-dimethoxyphenyl)-5-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) 3.52 11.84 -14.55 2 9 0 103 468.517 6 ↓
Hi High (pH 8-9.5) 3.69 11.77 -46.1 1 9 -1 105 467.509 6 ↓
Mid Mid (pH 6-8) 3.69 12.26 -38.44 3 9 1 108 469.525 6 ↓

Analogs

8584756
8584756
8584757
8584757

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-7-(3,4-dimethoxyphenyl)-5-methyl-2-phenyl-N-(3-pyridyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrim (7S)-7-(3,4-dimethoxyphenyl)-5-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) 3.52 11.83 -14.39 2 9 0 103 468.517 6 ↓
Hi High (pH 8-9.5) 3.69 11.61 -47.9 1 9 -1 105 467.509 6 ↓
Mid Mid (pH 6-8) 3.69 12.13 -38.03 3 9 1 108 469.525 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-7-(2,5-dimethoxyphenyl)-5-methyl-2-phenyl-N-(3-pyridyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrim (7R)-7-(2,5-dimethoxyphenyl)-5-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) 3.91 11.56 -14.36 2 9 0 103 468.517 6 ↓
Hi High (pH 8-9.5) 4.09 10.97 -48.88 1 9 -1 105 467.509 6 ↓
Mid Mid (pH 6-8) 4.09 11.51 -31.63 3 9 1 108 469.525 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-7-(2,5-dimethoxyphenyl)-5-methyl-2-phenyl-N-(3-pyridyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrim (7S)-7-(2,5-dimethoxyphenyl)-5-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) 3.91 11.58 -14.43 2 9 0 103 468.517 6 ↓
Hi High (pH 8-9.5) 4.09 10.79 -49.63 1 9 -1 105 467.509 6 ↓
Mid Mid (pH 6-8) 4.09 11.4 -30.84 3 9 1 108 469.525 6 ↓

Parameters Provided:

ring.id = 222681
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 = 222681 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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