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

Analogs

42408890
42408890

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Popular Name: 2-(azetidin-3-ylsulfanyl)-6-methyl-1H-pyrimidin-4-one 2-(azetidin-3-ylsulfanyl)-6-meth…

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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) 1.47 -0.17 -59.46 2 4 0 65 197.263 2 ↓
Hi High (pH 8-9.5) 1.47 -1.86 -46.59 1 4 -1 61 196.255 2 ↓
Mid Mid (pH 6-8) 1.01 1.79 -52.56 3 4 1 62 198.271 2 ↓

Analogs

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Popular Name: 2-(azetidin-3-ylsulfanyl)-6-propyl-1H-pyrimidin-4-one 2-(azetidin-3-ylsulfanyl)-6-prop…

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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) 2.54 1.41 -59.16 2 4 0 65 225.317 4 ↓
Hi High (pH 8-9.5) 2.54 -0.28 -46.55 1 4 -1 61 224.309 4 ↓
Mid Mid (pH 6-8) 2.08 3.3 -52.38 3 4 1 62 226.325 4 ↓

Analogs

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Popular Name: 2-(azetidin-3-ylsulfanyl)pyrimidine hydrochloride 2-(azetidin-3-ylsulfanyl)pyrimid…

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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) 0.90 2.48 -42.25 2 3 1 42 168.245 2 ↓
Hi High (pH 8-9.5) 0.90 0.78 -6.81 1 3 0 38 167.237 2 ↓

Analogs

42407795
42407795
42407800
42407800
42407810
42407810

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Popular Name: 2-(azetidin-3-ylsulfanyl)pyrimidin-4-ol 2-(azetidin-3-ylsulfanyl)pyrimid…

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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) 1.03 -0.77 -58.13 2 4 0 65 183.236 2 ↓
Hi High (pH 8-9.5) 1.03 -2.46 -44.68 1 4 -1 61 182.228 2 ↓
Mid Mid (pH 6-8) 0.57 1.18 -52.21 3 4 1 62 184.244 2 ↓

Analogs

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Popular Name: 2-(azetidin-3-ylsulfanyl)pyrimidine-4,6-diamine 2-(azetidin-3-ylsulfanyl)pyrimid…

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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) 0.55 -0.02 -43.11 6 5 1 94 198.275 2 ↓
Hi High (pH 8-9.5) 0.55 -1.71 -7.22 5 5 0 90 197.267 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(azetidin-3-ylsulfanyl)-5-methyl-pyrimidine 2-(azetidin-3-ylsulfanyl)-5-meth…

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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) 1.38 3.11 -41.91 2 3 1 42 182.272 2 ↓
Hi High (pH 8-9.5) 1.38 1.42 -6.42 1 3 0 38 181.264 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(azetidin-3-ylsulfanyl)-4-methylpyrimidine hydrochloride 2-(azetidin-3-ylsulfanyl)-4-meth…

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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) 1.34 3.08 -42.42 2 3 1 42 182.272 2 ↓
Hi High (pH 8-9.5) 1.34 1.39 -6.92 1 3 0 38 181.264 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(azetidin-3-ylsulfanyl)-4,6-dimethylpyrimidine hydrochloride 2-(azetidin-3-ylsulfanyl)-4,6-di…

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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) 1.78 3.68 -42.28 2 3 1 42 196.299 2 ↓
Hi High (pH 8-9.5) 1.78 1.99 -7 1 3 0 38 195.291 2 ↓

Parameters Provided:

ring.id = 371149
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 = 371149 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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