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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: (7R)-N2,5,5-trimethyl-N2-[[(2S)-tetrahydropyran-2-yl]methyl]-6,7-dihydro-4H-1,3-benzothiazole-2,7-di (7R)-N2,5,5-trimethyl-N2-[[(2S)-…

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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) 1.41 6.2 -44.4 3 4 1 53 310.487 3 ↓
Hi High (pH 8-9.5) 1.41 5.88 -5.74 2 4 0 51 309.479 3 ↓
Mid Mid (pH 6-8) 1.41 6.28 -22.66 3 4 1 53 310.487 3 ↓

Analogs

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Popular Name: (7R)-N2,5,5-trimethyl-N2-[[(2R)-tetrahydropyran-2-yl]methyl]-6,7-dihydro-4H-1,3-benzothiazole-2,7-di (7R)-N2,5,5-trimethyl-N2-[[(2R)-…

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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) 1.41 6.16 -45.33 3 4 1 53 310.487 3 ↓
Hi High (pH 8-9.5) 1.41 5.84 -7.97 2 4 0 51 309.479 3 ↓
Mid Mid (pH 6-8) 1.41 6.25 -22.12 3 4 1 53 310.487 3 ↓

Analogs

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Popular Name: (7R)-N2-methyl-N2-[[(2S)-tetrahydropyran-2-yl]methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diami (7R)-N2-methyl-N2-[[(2S)-tetrahy…

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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) 0.52 5.26 -44.72 3 4 1 53 282.433 3 ↓
Hi High (pH 8-9.5) 0.52 4.94 -8.49 2 4 0 51 281.425 3 ↓
Mid Mid (pH 6-8) 0.52 5.69 -90.39 4 4 2 54 283.441 3 ↓

Analogs

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Popular Name: (7R)-N2-methyl-N2-[[(2R)-tetrahydropyran-2-yl]methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diami (7R)-N2-methyl-N2-[[(2R)-tetrahy…

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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) 0.52 5.37 -43.73 3 4 1 53 282.433 3 ↓
Hi High (pH 8-9.5) 0.52 5.04 -6.3 2 4 0 51 281.425 3 ↓
Mid Mid (pH 6-8) 0.52 5.78 -94.27 4 4 2 54 283.441 3 ↓

Analogs

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Popular Name: (7R)-N2,N7-dimethyl-N2-[[(2S)-tetrahydropyran-2-yl]methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7- (7R)-N2,N7-dimethyl-N2-[[(2S)-te…

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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) 2.77 7.08 -38.41 2 4 1 42 296.46 4 ↓
Hi High (pH 8-9.5) 2.77 5.67 -4.91 1 4 0 37 295.452 4 ↓
Mid Mid (pH 6-8) 2.77 7.48 -88.31 3 4 2 43 297.468 4 ↓

Analogs

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Popular Name: (7S)-N2,N7-dimethyl-N2-[[(2S)-tetrahydropyran-2-yl]methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7- (7S)-N2,N7-dimethyl-N2-[[(2S)-te…

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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) 2.77 7.07 -38.25 2 4 1 42 296.46 4 ↓
Hi High (pH 8-9.5) 2.77 5.66 -6.52 1 4 0 37 295.452 4 ↓
Mid Mid (pH 6-8) 2.77 7.48 -88.34 3 4 2 43 297.468 4 ↓

Analogs

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Popular Name: (7R)-N7-ethyl-N2-methyl-N2-[[(2S)-tetrahydropyran-2-yl]methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole- (7R)-N7-ethyl-N2-methyl-N2-[[(2S…

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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) 3.15 7.93 -36.98 2 4 1 42 310.487 5 ↓
Hi High (pH 8-9.5) 3.15 6.59 -4.82 1 4 0 37 309.479 5 ↓
Mid Mid (pH 6-8) 3.15 8.33 -87.73 3 4 2 43 311.495 5 ↓

Analogs

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Popular Name: (7S)-N7-ethyl-N2-methyl-N2-[[(2S)-tetrahydropyran-2-yl]methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole- (7S)-N7-ethyl-N2-methyl-N2-[[(2S…

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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) 3.15 7.92 -36.77 2 4 1 42 310.487 5 ↓
Hi High (pH 8-9.5) 3.15 6.58 -6.34 1 4 0 37 309.479 5 ↓
Mid Mid (pH 6-8) 3.15 8.33 -87.65 3 4 2 43 311.495 5 ↓

Analogs

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Popular Name: (7R)-5,5-dimethyl-2-[methyl-[[(2S)-tetrahydropyran-2-yl]methyl]amino]-6,7-dihydro-4H-1,3-benzothiazo (7R)-5,5-dimethyl-2-[methyl-[[(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) 3.11 5.64 -6.86 1 4 0 46 310.463 3 ↓
Mid Mid (pH 6-8) 3.11 6.05 -24.92 2 4 1 47 311.471 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-5,5-dimethyl-2-[methyl-[[(2R)-tetrahydropyran-2-yl]methyl]amino]-6,7-dihydro-4H-1,3-benzothiazo (7R)-5,5-dimethyl-2-[methyl-[[(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) 3.11 5.63 -7.92 1 4 0 46 310.463 3 ↓
Mid Mid (pH 6-8) 3.11 6.03 -24.28 2 4 1 47 311.471 3 ↓

Analogs

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Popular Name: (7R)-2-[methyl-[[(2S)-tetrahydropyran-2-yl]methyl]amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (7R)-2-[methyl-[[(2S)-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) 2.22 4.68 -8.81 1 4 0 46 282.409 3 ↓
Mid Mid (pH 6-8) 2.22 5.11 -24.44 2 4 1 47 283.417 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[methyl-[[(2R)-tetrahydropyran-2-yl]methyl]amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (7R)-2-[methyl-[[(2R)-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) 2.22 4.78 -6.66 1 4 0 46 282.409 3 ↓
Mid Mid (pH 6-8) 2.22 5.19 -24.91 2 4 1 47 283.417 3 ↓

Parameters Provided:

ring.id = 158367
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 = 158367 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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