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

Draw Identity 99% 90% 80% 70%

Popular Name: (9aR)-2-[[(2R)-pyrrolidin-2-yl]methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine (9aR)-2-[[(2R)-pyrrolidin-2-yl]m…

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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) 1.07 5.42 -85.23 3 3 2 24 225.38 2 ↓
Hi High (pH 8-9.5) 1.07 3.85 -33.35 2 3 1 23 224.372 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (9aR)-2-[[(2S)-pyrrolidin-2-yl]methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine (9aR)-2-[[(2S)-pyrrolidin-2-yl]m…

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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) 1.07 5.55 -86.46 3 3 2 24 225.38 2 ↓
Hi High (pH 8-9.5) 1.07 3.99 -33.14 2 3 1 23 224.372 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (9aR)-2-[[(2R,4R)-4-methoxypyrrolidin-2-yl]methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diaz (9aR)-2-[[(2R,4R)-4-methoxypyrro…

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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) 0.77 4.44 -87.88 3 4 2 34 255.406 3 ↓
Hi High (pH 8-9.5) 0.77 3.67 -33.15 2 4 1 29 254.398 3 ↓
Hi High (pH 8-9.5) 0.77 1.52 -2.53 1 4 0 28 253.39 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (9aR)-2-[[(2R,4S)-4-methoxypyrrolidin-2-yl]methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diaz (9aR)-2-[[(2R,4S)-4-methoxypyrro…

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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) 0.77 4.46 -89.34 3 4 2 34 255.406 3 ↓
Hi High (pH 8-9.5) 0.77 3.64 -34.46 2 4 1 29 254.398 3 ↓
Hi High (pH 8-9.5) 0.77 1.54 -2.77 1 4 0 28 253.39 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (9aR)-2-[[(2S,4R)-4-methoxypyrrolidin-2-yl]methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diaz (9aR)-2-[[(2S,4R)-4-methoxypyrro…

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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) 0.77 4.5 -89.31 3 4 2 34 255.406 3 ↓
Hi High (pH 8-9.5) 0.77 3.67 -32.51 2 4 1 29 254.398 3 ↓
Hi High (pH 8-9.5) 0.77 1.6 -2.13 1 4 0 28 253.39 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (9aR)-2-[[(2S,4S)-4-methoxypyrrolidin-2-yl]methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diaz (9aR)-2-[[(2S,4S)-4-methoxypyrro…

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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) 0.77 4.55 -90.5 3 4 2 34 255.406 3 ↓
Hi High (pH 8-9.5) 0.77 3.83 -32.77 2 4 1 29 254.398 3 ↓
Hi High (pH 8-9.5) 0.77 1.73 -2.83 1 4 0 28 253.39 3 ↓

Parameters Provided:

ring.id = 313085
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 = 313085 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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