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

Analogs

4341806
4341806

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Popular Name: 6-cyclopentyl-3-(3-fluorophenyl)triazolo[4,5-d]pyrimidin-7-one 6-cyclopentyl-3-(3-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) 3.23 8.38 -13.96 0 6 0 66 299.309 2 ↓

Analogs

4341822
4341822

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Popular Name: 3-(4-chlorophenyl)-6-cyclopentyl-triazolo[4,5-d]pyrimidin-7-one 3-(4-chlorophenyl)-6-cyclopentyl…

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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) 3.56 8.84 -13.37 0 6 0 66 315.764 2 ↓

Analogs

5056847
5056847

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Popular Name: 3-(4-bromophenyl)-6-cyclopentyl-triazolo[4,5-d]pyrimidin-7-one 3-(4-bromophenyl)-6-cyclopentyl-…

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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) 3.69 8.94 -13.24 0 6 0 66 360.215 2 ↓

Analogs

5056886
5056886

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Popular Name: 6-cyclopentyl-3-[4-(trifluoromethoxy)phenyl]triazolo[4,5-d]pyrimidin-7-one 6-cyclopentyl-3-[4-(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) 3.85 8.11 -12.96 0 7 0 75 365.315 4 ↓

Analogs

5057002
5057002
5057328
5057328

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Popular Name: 6-cyclopentyl-3-(m-tolyl)triazolo[4,5-d]pyrimidin-7-one 6-cyclopentyl-3-(m-tolyl)triazol…

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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 8.97 -15.32 0 6 0 66 295.346 2 ↓

Analogs

4176231
4176231

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Popular Name: 6-cyclopentyl-3-(2,4-difluorophenyl)triazolo[4,5-d]pyrimidin-7-one 6-cyclopentyl-3-(2,4-difluorophe…

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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) 3.35 8.99 -13.07 0 6 0 66 317.299 2 ↓

Analogs

5057206
5057206
5057002
5057002

Draw Identity 99% 90% 80% 70%

Popular Name: 6-cyclopentyl-3-(3,4-dimethylphenyl)triazolo[4,5-d]pyrimidin-7-one 6-cyclopentyl-3-(3,4-dimethylphe…

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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) 3.92 9.53 -15.09 0 6 0 66 309.373 2 ↓

Analogs

5057328
5057328
5057002
5057002

Draw Identity 99% 90% 80% 70%

Popular Name: 6-cyclopentyl-3-(3,5-dimethylphenyl)triazolo[4,5-d]pyrimidin-7-one 6-cyclopentyl-3-(3,5-dimethylphe…

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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) 4.13 9.64 -15.13 0 6 0 66 309.373 2 ↓

Analogs

4341890
4341890

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Popular Name: 6-cyclopentyl-3-(3,4-dimethoxyphenyl)triazolo[4,5-d]pyrimidin-7-one 6-cyclopentyl-3-(3,4-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) 2.74 7.53 -16.92 0 8 0 84 341.371 4 ↓

Parameters Provided:

ring.id = 99986
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 = 99986 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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