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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]methyl]thiadiazol-5-amine 4-[[(9aR)-1,3,4,5,7,8,9,9a-octah…

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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) 0.73 2.38 -37.91 3 5 1 59 254.383 2 ↓
Hi High (pH 8-9.5) 0.73 0.83 -7.81 2 5 0 58 253.375 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]methyl]thiadiazol-5-amine 4-[[(9aS)-1,3,4,5,7,8,9,9a-octah…

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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) 0.73 2.01 -36.46 3 5 1 59 254.383 2 ↓
Hi High (pH 8-9.5) 0.73 -0.15 -7.71 2 5 0 58 253.375 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]methyl]-N-methyl-thiadiazol-5-a 4-[[(9aR)-1,3,4,5,7,8,9,9a-octah…

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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) 1.11 3.46 -37.34 2 5 1 45 268.41 3 ↓
Hi High (pH 8-9.5) 1.11 1.89 -9.05 1 5 0 44 267.402 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]methyl]-N-ethyl-thiadiazol-5-am 4-[[(9aR)-1,3,4,5,7,8,9,9a-octah…

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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) 1.48 4.28 -36.61 2 5 1 45 282.437 4 ↓
Hi High (pH 8-9.5) 1.48 2.72 -8.25 1 5 0 44 281.429 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]methyl]-N-propyl-thiadiazol-5-a 4-[[(9aR)-1,3,4,5,7,8,9,9a-octah…

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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) 1.98 5.03 -36.53 2 5 1 45 296.464 5 ↓
Hi High (pH 8-9.5) 1.98 3.48 -7.89 1 5 0 44 295.456 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]methyl]thiadiazol-5-yl]hydrazi [4-[[(9aR)-1,3,4,5,7,8,9,9a-octa…

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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) 0.49 2.17 -38.19 4 6 1 72 269.398 3 ↓
Hi High (pH 8-9.5) 0.49 0.62 -8.08 3 6 0 70 268.39 3 ↓
Lo Low (pH 4.5-6) 0.49 2 -104.08 5 6 2 73 270.406 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]methyl]thiadiazol-5-yl]hydrazi [4-[[(9aS)-1,3,4,5,7,8,9,9a-octa…

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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) 0.49 1.77 -36.57 4 6 1 72 269.398 3 ↓
Hi High (pH 8-9.5) 0.49 -0.38 -7.88 3 6 0 70 268.39 3 ↓
Lo Low (pH 4.5-6) 0.49 1.6 -104.5 5 6 2 73 270.406 3 ↓

Parameters Provided:

ring.id = 313544
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 = 313544 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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