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

Analogs

647401
647401
4164398
4164398
4164399
4164399

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2,4-dimethyl-1-piperidinyl)carbonyl]-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine 2-[(2,4-dimethyl-1-piperidinyl)c…

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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) 4.33 10.01 -33.19 2 5 1 55 407.46 3 ↓
Ref Reference (pH 7) 4.15 10 -11.44 1 5 0 50 406.452 3 ↓
Mid Mid (pH 6-8) 4.33 9.06 -8.08 1 5 0 53 406.452 3 ↓

Analogs

647401
647401
4164398
4164398
4164399
4164399

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2,4-dimethyl-1-piperidinyl)carbonyl]-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine 2-[(2,4-dimethyl-1-piperidinyl)c…

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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) 4.33 9.94 -35.19 2 5 1 55 407.46 3 ↓
Ref Reference (pH 7) 4.15 10.07 -10.44 1 5 0 50 406.452 3 ↓
Mid Mid (pH 6-8) 4.33 8.99 -7.28 1 5 0 53 406.452 3 ↓

Analogs

647401
647401
4164398
4164398
4164399
4164399

Draw Identity 99% 90% 80% 70%

Popular Name: 5-phenyl-7-(trifluoromethyl)-2-[(2,4,6-trimethyl-1-piperidinyl)carbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine 5-phenyl-7-(trifluoromethyl)-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) 4.66 10.44 -34.27 2 5 1 55 421.487 3 ↓
Ref Reference (pH 7) 4.48 10.62 -10.42 1 5 0 50 420.479 3 ↓
Mid Mid (pH 6-8) 4.66 9.49 -6.8 1 5 0 53 420.479 3 ↓

Analogs

34855211
34855211
34855212
34855212
34855213
34855213
34855214
34855214
12850748
12850748

Draw Identity 99% 90% 80% 70%

Popular Name: [(5S,7S)-3-chloro-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin [(5S,7S)-3-chloro-5-(4-methoxyph…

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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 8.35 -8 1 6 0 63 470.923 4 ↓
Lo Low (pH 4.5-6) 5.08 9.3 -32.64 2 6 1 64 471.931 4 ↓

Analogs

12850748
12850748

Draw Identity 99% 90% 80% 70%

Popular Name: [(5S,7R)-3-chloro-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin [(5S,7R)-3-chloro-5-(4-methoxyph…

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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 9.08 -8.53 1 6 0 63 470.923 4 ↓
Lo Low (pH 4.5-6) 5.08 9.98 -33.43 2 6 1 64 471.931 4 ↓

Analogs

34855211
34855211
34855212
34855212
34855213
34855213
34855214
34855214
12850748
12850748

Draw Identity 99% 90% 80% 70%

Popular Name: [(5R,7R)-3-chloro-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin [(5R,7R)-3-chloro-5-(4-methoxyph…

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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 8.84 -9.12 1 6 0 63 470.923 4 ↓
Lo Low (pH 4.5-6) 5.08 9.33 -33.28 2 6 1 64 471.931 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(5S,7S)-3-chloro-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrim [(5S,7S)-3-chloro-5-(3,4-dimetho…

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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) 4.34 7.71 -9.94 1 7 0 72 486.922 5 ↓
Lo Low (pH 4.5-6) 4.34 8.66 -36.58 2 7 1 73 487.93 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(5S,7R)-3-chloro-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrim [(5S,7R)-3-chloro-5-(3,4-dimetho…

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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) 4.34 8.44 -10.53 1 7 0 72 486.922 5 ↓
Lo Low (pH 4.5-6) 4.34 9.34 -37.46 2 7 1 73 487.93 5 ↓

Parameters Provided:

ring.id = 146426
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 = 146426 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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