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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-tert-butyl-5-[(1R)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,2,4-oxadiazole 3-tert-butyl-5-[(1R)-1-[(4-methy…

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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) 2.14 6.52 -10.46 0 6 0 70 267.358 4 ↓

Analogs

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Popular Name: 3-tert-butyl-5-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,2,4-oxadiazole 3-tert-butyl-5-[(1S)-1-[(4-methy…

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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) 2.14 6.52 -10.46 0 6 0 70 267.358 4 ↓

Analogs

43403436
43403436

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Popular Name: 5-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-4-isopropyl-1,2,4-triazol-3-amine 5-[(3-tert-butyl-1,2,4-oxadiazol…

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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) 2.32 6.39 -11.88 2 7 0 96 296.4 5 ↓

Analogs

43403436
43403436

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Popular Name: 5-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-4-isopropyl-1,2,4-triazol-3-amine 5-[(3-butyl-1,2,4-oxadiazol-5-yl…

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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) 2.23 6.94 -11.65 2 7 0 96 296.4 7 ↓

Analogs

43403436
43403436

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Popular Name: 4-isopropyl-5-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,2,4-triazol-3-amine 4-isopropyl-5-[(3-propyl-1,2,4-o…

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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) 1.67 6.16 -11.66 2 7 0 96 282.373 6 ↓

Analogs

43403436
43403436

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Popular Name: 4-isopropyl-5-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,2,4-triazol-3-amine 4-isopropyl-5-[(3-isopropyl-1,2,…

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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) 1.65 5.84 -11.88 2 7 0 96 282.373 5 ↓

Analogs

43403436
43403436

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Popular Name: 5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-4-isopropyl-1,2,4-triazol-3-amine 5-[(3-ethyl-1,2,4-oxadiazol-5-yl…

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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) 1.17 5.39 -12 2 7 0 96 268.346 5 ↓

Analogs

43403436
43403436

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Popular Name: 5-[(3-isobutyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-4-isopropyl-1,2,4-triazol-3-amine 5-[(3-isobutyl-1,2,4-oxadiazol-5…

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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) 1.91 6.61 -11.67 2 7 0 96 296.4 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-isopropyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,2,4-triazol-3-amine 4-isopropyl-5-[(3-methyl-1,2,4-o…

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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) 0.60 4.77 -12.36 2 7 0 96 254.319 4 ↓

Analogs

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Popular Name: 5-[[3-(1-amino-1-methyl-ethyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-4-isopropyl-1,2,4-triazol-3-amin 5-[[3-(1-amino-1-methyl-ethyl)-1…

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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) 0.80 3.09 -48.55 5 8 1 123 298.396 5 ↓
Hi High (pH 8-9.5) 0.80 2.83 -12.26 4 8 0 122 297.388 5 ↓

Analogs

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Popular Name: 3-isopentyl-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole 3-isopentyl-5-[(4-methyl-1,2,4-t…

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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) 1.90 6.73 -11.56 0 6 0 70 267.358 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-isopentyl-5-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole 3-isopentyl-5-[(4-isopropyl-1,2,…

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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) 2.64 8.05 -10.25 0 6 0 70 295.412 7 ↓

Analogs

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Popular Name: 3-[4-methyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide 3-[4-methyl-5-[(3-methyl-1,2,4-o…

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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) -0.66 1.33 -16.24 2 8 0 113 282.329 6 ↓

Parameters Provided:

ring.id = 144702
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 = 144702 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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