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Analogs

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Popular Name: 4-chloro-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidine 4-chloro-6-(1H-1,2,4-triazol-5-y…

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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) 1.23 5.04 -7.68 1 5 0 67 213.653 2 ↓
Hi High (pH 8-9.5) 1.23 4.66 -37.51 0 5 -1 66 212.645 2 ↓

Analogs

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Popular Name: 2-chloro-4-methyl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidine 2-chloro-4-methyl-6-(1H-1,2,4-tr…

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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) 1.64 5.02 -10.59 1 5 0 67 227.68 2 ↓
Hi High (pH 8-9.5) 1.64 4.64 -43.54 0 5 -1 66 226.672 2 ↓

Analogs

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Popular Name: 2-chloro-4-methyl-6-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyrimidine 2-chloro-4-methyl-6-[(5-methyl-4…

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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) 1.73 4.88 -10.93 1 5 0 67 241.707 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-methyl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidine 4-chloro-2-methyl-6-(1H-1,2,4-tr…

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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) 1.31 4.96 -7.81 1 5 0 67 227.68 2 ↓
Hi High (pH 8-9.5) 1.31 4.59 -37.96 0 5 -1 66 226.672 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-methyl-6-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyrimidine 4-chloro-2-methyl-6-[(5-methyl-4…

Find On: PubMed — Wikipedia — Google

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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) 1.40 4.82 -8.12 1 5 0 67 241.707 2 ↓

Parameters Provided:

ring.id = 21898
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 = 21898 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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