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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: (7R)-2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol- (7R)-2-[(4aS,8aR)-3,4,4a,5,6,7,8…

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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) 1.82 7.98 -42.8 3 3 1 44 292.472 1 ↓
Hi High (pH 8-9.5) 1.82 7.66 -5.62 2 3 0 42 291.464 1 ↓
Mid Mid (pH 6-8) 1.82 7.52 -95.76 4 3 2 45 293.48 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol- (7R)-2-[(4aS,8aS)-3,4,4a,5,6,7,8…

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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) 1.82 7.34 -44.21 3 3 1 44 292.472 1 ↓
Hi High (pH 8-9.5) 1.82 7 -6.66 2 3 0 42 291.464 1 ↓
Mid Mid (pH 6-8) 1.82 7.71 -92.74 4 3 2 45 293.48 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol- (7R)-2-[(4aR,8aR)-3,4,4a,5,6,7,8…

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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) 1.82 6.85 -44.31 3 3 1 44 292.472 1 ↓
Hi High (pH 8-9.5) 1.82 6.51 -5.05 2 3 0 42 291.464 1 ↓
Mid Mid (pH 6-8) 1.82 7.21 -94.54 4 3 2 45 293.48 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol- (7R)-2-[(4aR,8aS)-3,4,4a,5,6,7,8…

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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) 1.82 7.98 -42.99 3 3 1 44 292.472 1 ↓
Hi High (pH 8-9.5) 1.82 7.66 -5.5 2 3 0 42 291.464 1 ↓
Mid Mid (pH 6-8) 1.82 7.51 -95.75 4 3 2 45 293.48 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-methyl-4,5,6,7-tetrahydro-1,3-benz (7R)-2-[(4aR,8aS)-3,4,4a,5,6,7,8…

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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) 4.07 9.74 -37.44 2 3 1 33 306.499 2 ↓
Hi High (pH 8-9.5) 4.07 8.33 -4.28 1 3 0 28 305.491 2 ↓
Mid Mid (pH 6-8) 4.07 9.26 -89.4 3 3 2 34 307.507 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-methyl-4,5,6,7-tetrahydro-1,3-benz (7S)-2-[(4aR,8aS)-3,4,4a,5,6,7,8…

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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) 4.07 9.74 -37.23 2 3 1 33 306.499 2 ↓
Hi High (pH 8-9.5) 4.07 8.33 -5.85 1 3 0 28 305.491 2 ↓
Mid Mid (pH 6-8) 4.07 9.27 -89.43 3 3 2 34 307.507 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol- (7R)-2-[(4aS,8aR)-3,4,4a,5,6,7,8…

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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) 3.52 7.4 -5.99 1 3 0 36 292.448 1 ↓
Lo Low (pH 4.5-6) 3.52 6.93 -23.4 2 3 1 38 293.456 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol- (7R)-2-[(4aS,8aS)-3,4,4a,5,6,7,8…

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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) 3.52 6.75 -6.92 1 3 0 36 292.448 1 ↓
Lo Low (pH 4.5-6) 3.52 7.12 -23.49 2 3 1 38 293.456 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol- (7R)-2-[(4aR,8aR)-3,4,4a,5,6,7,8…

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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) 3.52 6.26 -5.4 1 3 0 36 292.448 1 ↓
Lo Low (pH 4.5-6) 3.52 6.63 -23.39 2 3 1 38 293.456 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol- (7R)-2-[(4aR,8aS)-3,4,4a,5,6,7,8…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.52 7.4 -5.86 1 3 0 36 292.448 1 ↓
Lo Low (pH 4.5-6) 3.52 6.92 -23.33 2 3 1 38 293.456 1 ↓

Parameters Provided:

ring.id = 158323
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 = 158323 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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