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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)-5,5-dimethyl-2-(4-methyl-1,4-diazepan-1-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7R)-5,5-dimethyl-2-(4-methyl-1,…

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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) 0.69 7.09 -90.61 4 4 2 48 296.484 1 ↓
Hi High (pH 8-9.5) 0.69 4.79 -5.97 2 4 0 45 294.468 1 ↓
Mid Mid (pH 6-8) 0.69 5.12 -45 3 4 1 47 295.476 1 ↓

Analogs

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Popular Name: (7R)-2-(4-methyl-1,4-diazepan-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-2-(4-methyl-1,4-diazepan-1-…

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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) -0.20 6.23 -89.7 4 4 2 48 268.43 1 ↓
Hi High (pH 8-9.5) -0.20 3.92 -6.33 2 4 0 45 266.414 1 ↓
Mid Mid (pH 6-8) -0.20 4.25 -44.48 3 4 1 47 267.422 1 ↓

Analogs

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Popular Name: (7R)-N,5,5-trimethyl-2-(4-methyl-1,4-diazepan-1-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7R)-N,5,5-trimethyl-2-(4-methyl…

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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) 2.95 8.84 -85.19 3 4 2 37 310.511 2 ↓
Hi High (pH 8-9.5) 2.95 5.45 -6.23 1 4 0 31 308.495 2 ↓
Mid Mid (pH 6-8) 2.95 6.87 -39.27 2 4 1 36 309.503 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-N-methyl-2-(4-methyl-1,4-diazepan-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-N-methyl-2-(4-methyl-1,4-di…

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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) 2.06 7.95 -84.36 3 4 2 37 282.457 2 ↓
Hi High (pH 8-9.5) 2.06 4.58 -5.17 1 4 0 31 280.441 2 ↓
Mid Mid (pH 6-8) 2.06 5.98 -38.86 2 4 1 36 281.449 2 ↓

Analogs

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Popular Name: (7S)-N-methyl-2-(4-methyl-1,4-diazepan-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7S)-N-methyl-2-(4-methyl-1,4-di…

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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) 2.06 7.95 -83.03 3 4 2 37 282.457 2 ↓
Hi High (pH 8-9.5) 2.06 4.57 -6.71 1 4 0 31 280.441 2 ↓
Mid Mid (pH 6-8) 2.06 5.98 -38.62 2 4 1 36 281.449 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-N-ethyl-2-(4-methyl-1,4-diazepan-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-N-ethyl-2-(4-methyl-1,4-dia…

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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) 2.43 8.82 -81.97 3 4 2 37 296.484 3 ↓
Hi High (pH 8-9.5) 2.43 5.52 -4.94 1 4 0 31 294.468 3 ↓
Mid Mid (pH 6-8) 2.43 6.86 -37.13 2 4 1 36 295.476 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-N-ethyl-2-(4-methyl-1,4-diazepan-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7S)-N-ethyl-2-(4-methyl-1,4-dia…

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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) 2.43 8.8 -81.97 3 4 2 37 296.484 3 ↓
Hi High (pH 8-9.5) 2.43 5.49 -6.54 1 4 0 31 294.468 3 ↓
Mid Mid (pH 6-8) 2.43 6.83 -37.12 2 4 1 36 295.476 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-(4-methyl-1,4-diazepan-1-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-2-(4-methyl-1,4-diazepan-1-…

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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) 2.94 9.58 -82.88 3 4 2 37 310.511 4 ↓
Hi High (pH 8-9.5) 2.94 6.29 -4.85 1 4 0 31 308.495 4 ↓
Mid Mid (pH 6-8) 2.94 7.62 -37.71 2 4 1 36 309.503 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-2-(4-methyl-1,4-diazepan-1-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7S)-2-(4-methyl-1,4-diazepan-1-…

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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) 2.94 9.56 -82.93 3 4 2 37 310.511 4 ↓
Hi High (pH 8-9.5) 2.94 6.26 -6.46 1 4 0 31 308.495 4 ↓
Mid Mid (pH 6-8) 2.94 7.6 -37.7 2 4 1 36 309.503 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-5,5-dimethyl-2-(4-methyl-1,4-diazepan-1-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-ol (7R)-5,5-dimethyl-2-(4-methyl-1,…

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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) 2.39 6.56 -42.37 2 4 1 41 296.46 1 ↓
Mid Mid (pH 6-8) 2.39 4.53 -6.49 1 4 0 40 295.452 1 ↓
Mid Mid (pH 6-8) 2.39 6.94 -89.57 3 4 2 42 297.468 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.50 5.64 -39.72 2 4 1 41 268.406 1 ↓
Mid Mid (pH 6-8) 1.50 3.66 -6.64 1 4 0 40 267.398 1 ↓
Lo Low (pH 4.5-6) 1.50 6.05 -88.63 3 4 2 42 269.414 1 ↓

Parameters Provided:

ring.id = 23184
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 = 23184 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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