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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-tetrahydropyran-4-yl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine (7R)-N2,5,5-trimethyl-N2-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) 0.90 5.02 -45.85 3 4 1 53 296.46 2 ↓
Hi High (pH 8-9.5) 0.90 4.7 -6.16 2 4 0 51 295.452 2 ↓
Mid Mid (pH 6-8) 0.90 5.35 -97.31 4 4 2 54 297.468 2 ↓

Analogs

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Popular Name: (7S)-N2,5,5-trimethyl-N2-tetrahydropyran-4-yl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine (7S)-N2,5,5-trimethyl-N2-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) 0.90 5.02 -45.89 3 4 1 53 296.46 2 ↓
Hi High (pH 8-9.5) 0.90 4.7 -5 2 4 0 51 295.452 2 ↓
Mid Mid (pH 6-8) 0.90 5.35 -97.29 4 4 2 54 297.468 2 ↓

Analogs

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Popular Name: (7R)-N2-methyl-N2-tetrahydropyran-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N2-methyl-N2-tetrahydropyra…

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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) 0.02 4.15 -45.36 3 4 1 53 268.406 2 ↓
Hi High (pH 8-9.5) 0.02 3.82 -6.55 2 4 0 51 267.398 2 ↓
Mid Mid (pH 6-8) 0.02 4.47 -95.58 4 4 2 54 269.414 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-N2-methyl-N2-tetrahydropyran-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7S)-N2-methyl-N2-tetrahydropyra…

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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) 0.02 4.15 -45.4 3 4 1 53 268.406 2 ↓
Hi High (pH 8-9.5) 0.02 3.82 -5.47 2 4 0 51 267.398 2 ↓
Mid Mid (pH 6-8) 0.02 4.47 -95.58 4 4 2 54 269.414 2 ↓

Analogs

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Popular Name: (7R)-N2,N7,5,5-tetramethyl-N2-tetrahydropyran-4-yl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine (7R)-N2,N7,5,5-tetramethyl-N2-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) 3.16 6.78 -40.11 2 4 1 42 310.487 3 ↓
Hi High (pH 8-9.5) 3.16 5.36 -6.33 1 4 0 37 309.479 3 ↓
Mid Mid (pH 6-8) 3.16 7.11 -90.88 3 4 2 43 311.495 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-N2,N7,5,5-tetramethyl-N2-tetrahydropyran-4-yl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine (7S)-N2,N7,5,5-tetramethyl-N2-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) 3.16 6.78 -40.18 2 4 1 42 310.487 3 ↓
Hi High (pH 8-9.5) 3.16 5.37 -4.95 1 4 0 37 309.479 3 ↓
Mid Mid (pH 6-8) 3.16 7.11 -90.83 3 4 2 43 311.495 3 ↓

Analogs

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Popular Name: (7R)-N2,N7-dimethyl-N2-tetrahydropyran-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N2,N7-dimethyl-N2-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) 2.27 5.89 -39.73 2 4 1 42 282.433 3 ↓
Hi High (pH 8-9.5) 2.27 4.48 -5.35 1 4 0 37 281.425 3 ↓
Mid Mid (pH 6-8) 2.27 6.22 -89.49 3 4 2 43 283.441 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-N2,N7-dimethyl-N2-tetrahydropyran-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7S)-N2,N7-dimethyl-N2-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) 2.27 5.89 -39.76 2 4 1 42 282.433 3 ↓
Hi High (pH 8-9.5) 2.27 4.48 -6.79 1 4 0 37 281.425 3 ↓
Mid Mid (pH 6-8) 2.27 6.22 -89.42 3 4 2 43 283.441 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.65 6.74 -38.33 2 4 1 42 296.46 4 ↓
Hi High (pH 8-9.5) 2.65 5.41 -5.19 1 4 0 37 295.452 4 ↓
Mid Mid (pH 6-8) 2.65 7.07 -88.9 3 4 2 43 297.468 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.65 6.74 -38.31 2 4 1 42 296.46 4 ↓
Hi High (pH 8-9.5) 2.65 5.4 -6.56 1 4 0 37 295.452 4 ↓
Mid Mid (pH 6-8) 2.65 7.07 -88.93 3 4 2 43 297.468 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-N2-methyl-N7-propyl-N2-tetrahydropyran-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N2-methyl-N7-propyl-N2-tetr…

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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 7.5 -38.81 2 4 1 42 310.487 5 ↓
Hi High (pH 8-9.5) 3.15 6.17 -5.12 1 4 0 37 309.479 5 ↓
Mid Mid (pH 6-8) 3.15 7.83 -90.57 3 4 2 43 311.495 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-N2-methyl-N7-propyl-N2-tetrahydropyran-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7S)-N2-methyl-N7-propyl-N2-tetr…

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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 7.5 -38.9 2 4 1 42 310.487 5 ↓
Hi High (pH 8-9.5) 3.15 6.16 -6.48 1 4 0 37 309.479 5 ↓
Mid Mid (pH 6-8) 3.15 7.83 -90.46 3 4 2 43 311.495 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-5,5-dimethyl-2-[methyl(tetrahydropyran-4-yl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol (7R)-5,5-dimethyl-2-[methyl(tetr…

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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) 2.60 4.39 -6.46 1 4 0 46 296.436 2 ↓
Mid Mid (pH 6-8) 2.60 4.79 -26.11 2 4 1 47 297.444 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-5,5-dimethyl-2-[methyl(tetrahydropyran-4-yl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol (7S)-5,5-dimethyl-2-[methyl(tetr…

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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) 2.60 4.4 -6.43 1 4 0 46 296.436 2 ↓
Mid Mid (pH 6-8) 2.60 4.79 -26.12 2 4 1 47 297.444 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[methyl(tetrahydropyran-4-yl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (7R)-2-[methyl(tetrahydropyran-4…

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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) 1.72 3.56 -6.95 1 4 0 46 268.382 2 ↓
Lo Low (pH 4.5-6) 1.72 3.89 -26.22 2 4 1 47 269.39 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-2-[methyl(tetrahydropyran-4-yl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (7S)-2-[methyl(tetrahydropyran-4…

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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) 1.72 3.56 -6.96 1 4 0 46 268.382 2 ↓
Lo Low (pH 4.5-6) 1.72 3.89 -26.26 2 4 1 47 269.39 2 ↓

Parameters Provided:

ring.id = 158320
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 158320 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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