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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 5-isobutyl-3-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-ylmethyl)-1,2,4-oxadiazole 5-isobutyl-3-(2,3,4,5-tetrahydro…

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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) 2.21 6.37 -47.55 2 5 1 59 287.387 4 ↓
Hi High (pH 8-9.5) 2.21 4.9 -7.87 1 5 0 54 286.379 4 ↓

Analogs

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Popular Name: 5-tert-butyl-3-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-ylmethyl)-1,2,4-oxadiazole 5-tert-butyl-3-(2,3,4,5-tetrahyd…

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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) 2.62 5.98 -47.74 2 5 1 59 287.387 3 ↓
Hi High (pH 8-9.5) 2.62 4.72 -7.91 1 5 0 54 286.379 3 ↓

Analogs

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Popular Name: 5-methyl-3-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-ylmethyl)-1,2,4-oxadiazole 5-methyl-3-(2,3,4,5-tetrahydro-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) 0.89 4.09 -48.54 2 5 1 59 245.306 2 ↓
Hi High (pH 8-9.5) 0.89 2.84 -8.96 1 5 0 54 244.298 2 ↓

Analogs

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Popular Name: 3-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-ylmethyl)-1,2,4-oxadiazole 3-(2,3,4,5-tetrahydro-1,4-benzod…

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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) 0.67 3.18 -38.92 2 5 1 59 231.279 2 ↓
Hi High (pH 8-9.5) 0.67 1.9 -8.23 1 5 0 54 230.271 2 ↓

Analogs

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Popular Name: 5-propyl-3-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-ylmethyl)-1,2,4-oxadiazole 5-propyl-3-(2,3,4,5-tetrahydro-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) 1.97 5.62 -47.78 2 5 1 59 273.36 4 ↓
Hi High (pH 8-9.5) 1.97 4.37 -7.85 1 5 0 54 272.352 4 ↓

Analogs

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Popular Name: 5-ethyl-3-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-ylmethyl)-1,2,4-oxadiazole 5-ethyl-3-(2,3,4,5-tetrahydro-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) 1.46 4.85 -48.08 2 5 1 59 259.333 3 ↓
Hi High (pH 8-9.5) 1.46 3.6 -8.29 1 5 0 54 258.325 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-isopropyl-3-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-ylmethyl)-1,2,4-oxadiazole 5-isopropyl-3-(2,3,4,5-tetrahydr…

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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) 1.95 5.45 -47.79 2 5 1 59 273.36 3 ↓
Hi High (pH 8-9.5) 1.95 4.2 -7.97 1 5 0 54 272.352 3 ↓

Parameters Provided:

ring.id = 280679
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 = 280679 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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