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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-cycloheptyl-N2,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine (7R)-N2-cycloheptyl-N2,5,5-trime…

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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 7.91 -44.45 3 3 1 44 308.515 2 ↓
Hi High (pH 8-9.5) 2.94 7.58 -5.82 2 3 0 42 307.507 2 ↓
Mid Mid (pH 6-8) 2.94 7.91 -21.78 3 3 1 43 308.515 2 ↓

Analogs

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Popular Name: (7S)-N2-cycloheptyl-N2,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine (7S)-N2-cycloheptyl-N2,5,5-trime…

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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 7.91 -44.54 3 3 1 44 308.515 2 ↓
Hi High (pH 8-9.5) 2.94 7.59 -4.59 2 3 0 42 307.507 2 ↓
Mid Mid (pH 6-8) 2.94 7.91 -22.65 3 3 1 43 308.515 2 ↓

Analogs

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Popular Name: (7R)-N2-cycloheptyl-N2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N2-cycloheptyl-N2-methyl-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) 2.05 7.13 -44.03 3 3 1 44 280.461 2 ↓
Hi High (pH 8-9.5) 2.05 6.81 -6.27 2 3 0 42 279.453 2 ↓
Mid Mid (pH 6-8) 2.05 7.46 -92.61 4 3 2 45 281.469 2 ↓

Analogs

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Popular Name: (7S)-N2-cycloheptyl-N2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7S)-N2-cycloheptyl-N2-methyl-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) 2.05 7.03 -44.08 3 3 1 44 280.461 2 ↓
Hi High (pH 8-9.5) 2.05 6.71 -4.98 2 3 0 42 279.453 2 ↓
Mid Mid (pH 6-8) 2.05 7.36 -92.87 4 3 2 45 281.469 2 ↓

Analogs

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Popular Name: (7R)-N2-cycloheptyl-N2,N7-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N2-cycloheptyl-N2,N7-dimeth…

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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) 4.31 8.78 -38.38 2 3 1 33 294.488 3 ↓
Hi High (pH 8-9.5) 4.31 7.37 -4.93 1 3 0 28 293.48 3 ↓
Mid Mid (pH 6-8) 4.31 9.1 -86.77 3 3 2 34 295.496 3 ↓

Analogs

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Popular Name: (7S)-N2-cycloheptyl-N2,N7-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7S)-N2-cycloheptyl-N2,N7-dimeth…

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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) 4.31 8.78 -38.46 2 3 1 33 294.488 3 ↓
Hi High (pH 8-9.5) 4.31 7.36 -6.42 1 3 0 28 293.48 3 ↓
Mid Mid (pH 6-8) 4.31 9.1 -86.77 3 3 2 34 295.496 3 ↓

Analogs

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

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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) 4.68 9.73 -36.9 2 3 1 33 308.515 4 ↓
Hi High (pH 8-9.5) 4.68 8.39 -4.92 1 3 0 28 307.507 4 ↓
Mid Mid (pH 6-8) 4.68 10.06 -85.94 3 3 2 34 309.523 4 ↓

Analogs

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

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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) 4.68 9.63 -36.99 2 3 1 33 308.515 4 ↓
Hi High (pH 8-9.5) 4.68 8.29 -6.25 1 3 0 28 307.507 4 ↓
Mid Mid (pH 6-8) 4.68 9.95 -86.17 3 3 2 34 309.523 4 ↓

Analogs

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

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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) 4.64 7.27 -5.6 1 3 0 36 308.491 2 ↓
Mid Mid (pH 6-8) 4.64 7.68 -24.13 2 3 1 38 309.499 2 ↓

Analogs

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

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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) 4.64 7.28 -5.6 1 3 0 36 308.491 2 ↓
Mid Mid (pH 6-8) 4.64 7.68 -24.1 2 3 1 38 309.499 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.75 6.55 -6.65 1 3 0 36 280.437 2 ↓
Mid Mid (pH 6-8) 3.75 6.88 -24.07 2 3 1 38 281.445 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.75 6.45 -6.57 1 3 0 36 280.437 2 ↓
Mid Mid (pH 6-8) 3.75 6.77 -24.24 2 3 1 38 281.445 2 ↓

Parameters Provided:

ring.id = 158321
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 = 158321 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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