UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(4-chloro-2-methyl-phenyl)-2-[(3R)-3-methyl-1-piperidyl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine N-(4-chloro-2-methyl-phenyl)-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) 3.53 8.47 -9.97 1 7 0 80 417.922 3 ↓

Analogs

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Popular Name: N-(4-chloro-2-methyl-phenyl)-2-[(3S)-3-methyl-1-piperidyl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine N-(4-chloro-2-methyl-phenyl)-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) 3.53 8.65 -9.48 1 7 0 80 417.922 3 ↓

Analogs

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Popular Name: 2-[(3R)-3-methyl-1-piperidyl]-N-(o-tolyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide 2-[(3R)-3-methyl-1-piperidyl]-N-…

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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) 2.88 7.96 -11.5 1 7 0 80 383.477 3 ↓

Analogs

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Popular Name: 2-[(3S)-3-methyl-1-piperidyl]-N-(o-tolyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide 2-[(3S)-3-methyl-1-piperidyl]-N-…

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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) 2.88 8.14 -11.12 1 7 0 80 383.477 3 ↓

Analogs

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Popular Name: N-(3-chloro-2-methyl-phenyl)-2-[(3R)-3-methyl-1-piperidyl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine N-(3-chloro-2-methyl-phenyl)-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) 3.51 8.48 -10.15 1 7 0 80 417.922 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-2-methyl-phenyl)-2-[(3S)-3-methyl-1-piperidyl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine N-(3-chloro-2-methyl-phenyl)-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) 3.51 8.61 -9.48 1 7 0 80 417.922 3 ↓

Analogs

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Popular Name: N-(3,4-dimethylphenyl)-2-[(3R)-3-methyl-1-piperidyl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-car N-(3,4-dimethylphenyl)-2-[(3R)-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) 3.30 8.39 -11.72 1 7 0 80 397.504 3 ↓

Analogs

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Popular Name: N-(3,4-dimethylphenyl)-2-[(3S)-3-methyl-1-piperidyl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-car N-(3,4-dimethylphenyl)-2-[(3S)-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) 3.30 8.56 -11.31 1 7 0 80 397.504 3 ↓

Analogs

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Popular Name: N-(4-fluoro-2-methyl-phenyl)-2-[(3R)-3-methyl-1-piperidyl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine N-(4-fluoro-2-methyl-phenyl)-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) 3.02 8.02 -10.24 1 7 0 80 401.467 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluoro-2-methyl-phenyl)-2-[(3S)-3-methyl-1-piperidyl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine N-(4-fluoro-2-methyl-phenyl)-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) 3.02 8.2 -9.86 1 7 0 80 401.467 3 ↓

Parameters Provided:

ring.id = 90321
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 = 90321 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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